2010
|
| 251. | Role of the adenine ligand on the stabilization of the secondary and tertiary interactions in the adenine riboswitch Journal Article U. Deva Priyakumar U. Deva Priyakumar, Alexander D MacKerell Jr Journal of Molecular Biology, 396 , 1422-1438 (2010) Links | BibTeX | Tags: publication @article{44d,
title = {Role of the adenine ligand on the stabilization of the secondary and tertiary interactions in the adenine riboswitch},
author = {U. Deva Priyakumar},
url = {https://www.sciencedirect.com/science/article/abs/pii/S0022283609015290},
year = {2010},
date = {2010-03-12},
journal = {Journal of Molecular Biology},
volume = {396},
pages = {1422-1438},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 252. | On the Role of the cis Hoogsteen: Sugar-Edge Family of Base Pairs in Platforms and Triplets - Quantum Chemical Insights into RNA Structural Biology Journal Article Abhijit Mitra Purshotam Sharma, Judit E Šponer, Jiří Šponer, Sitansh Sharma, Dhananjay Bhattacharyya, Abhijit Mitra The Journal of Physical Chemistry B, 114 , 3307–3320 (2010) Links | BibTeX | Tags: publication @article{55f,
title = {On the Role of the cis Hoogsteen: Sugar-Edge Family of Base Pairs in Platforms and Triplets - Quantum Chemical Insights into RNA Structural Biology},
author = {Abhijit Mitra},
url = {https://pubs.acs.org/doi/abs/10.1021/jp910226e},
year = {2010},
date = {2010-02-17},
journal = {The Journal of Physical Chemistry B},
volume = {114},
pages = {3307–3320},
publisher = {American Chemical Society},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
2009
|
| 253. | Electronic structure based study of furan derived peptides Journal Article Harjinder Singh N. V. Suresh Kumar,Harjinder Singh,Tushar K Chakraborty International Symposium, " Of Molecules and Materials (A Survey of Recent Concepts)" (OMAM 2009, 115-120 (2009) Links | BibTeX | Tags: publication @article{23_29,
title = {Electronic structure based study of furan derived peptides},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/509},
year = {2009},
date = {2009-12-28},
journal = {International Symposium, " Of Molecules and Materials (A Survey of Recent Concepts)" (OMAM 2009},
pages = {115-120},
organization = {International Symposium, " Of Molecules and Materials (A Survey of Recent Concepts)" (OMAM 2009)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 254. | Electronic structure and properties based study of furan and tetrahydrofuran derived peptides Journal Article Harjinder Singh N. V. Suresh Kumar, Harjinder Singh,Tushar K Chakraborty Changing Paradigms in Theoretical & Computational Chemistry from atoms to molecular clusters , 10 (2009) Links | BibTeX | Tags: publication @article{1_70,
title = {Electronic structure and properties based study of furan and tetrahydrofuran derived peptides},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/508},
year = {2009},
date = {2009-12-18},
journal = {Changing Paradigms in Theoretical & Computational Chemistry from atoms to molecular clusters },
pages = {10},
organization = { Changing Paradigms in Theoretical & Computational Chemistry from atoms to molecular clusters (TCCC-2009 2009)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 255. | QUANTUM OPTIMAL CONTROL OF NUCLEAR MOTION AND PHOTODISSOCIATION USING GENETIC ALGORITHM Journal Article Harjinder Singh Sitansh Sharma,Harjinder Singh,Gabriel G Balint-Kurti Changing Paradigms of Theoretical and Computational Chemistry: From Atoms to Molecular Clusters, 13 (2009) Links | BibTeX | Tags: publication @article{23_31,
title = {QUANTUM OPTIMAL CONTROL OF NUCLEAR MOTION AND PHOTODISSOCIATION USING GENETIC ALGORITHM},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/506},
year = {2009},
date = {2009-12-18},
journal = {Changing Paradigms of Theoretical and Computational Chemistry: From Atoms to Molecular Clusters},
pages = {13},
organization = {Changing Paradigms of Theoretical and Computational Chemistry: From Atoms to Molecular Clusters},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 256. | Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid bases Journal Article U. Deva Priyakumar U. Deva Priyakumar, Changbong Hyeon, D Thirumalai, Alexander D MacKerell Jr Journal of the American Chemical Society, 131 , 17759–17761 (2009) Links | BibTeX | Tags: publication @article{59y,
title = {Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid bases},
author = {U. Deva Priyakumar},
url = {https://pubs.acs.org/doi/abs/10.1021/ja905795v},
year = {2009},
date = {2009-12-16},
journal = {Journal of the American Chemical Society},
volume = {131},
pages = {17759–17761},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 257. | Quantum chemical study of control of stereochemistry of tetrahdyrofuran ring in tripeptides containing tetrahydrofuran amino acids Journal Article U. Deva Priyakumar N. V. Suresh Kumar,U. Deva Priyakumar,Harjinder Singh,Tushar Kanti Chakraborty International Conference on Physics Biology Interface, 9 (2009) Links | BibTeX | Tags: publication @article{1_69,
title = {Quantum chemical study of control of stereochemistry of tetrahdyrofuran ring in tripeptides containing tetrahydrofuran amino acids},
author = {U. Deva Priyakumar},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/520},
year = {2009},
date = {2009-12-13},
journal = {International Conference on Physics Biology Interface},
pages = {9},
organization = {International Conference on Physics Biology Interface (ICPBI2009 2009)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 258. | Quantum dynamics and optimal control of nuclear motion in the hydrogen bonds of adenine-thymine DNA base pair Journal Article Harjinder Singh Sitansh Sharma,Harjinder Singh,Gabriel G Balint-Kurti nternational Conference on Physics Biology Interface , 11 (2009) Links | BibTeX | Tags: publication @article{23_30,
title = {Quantum dynamics and optimal control of nuclear motion in the hydrogen bonds of adenine-thymine DNA base pair},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/507},
year = {2009},
date = {2009-12-13},
journal = {nternational Conference on Physics Biology Interface },
pages = {11},
organization = {International Conference on Physics Biology Interface (ICPBI2009 2009)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 259. | Molecular Insights into the Switching Mechanism of add A-Riboswitch Journal Article Abhijit Mitra Abhijit Mitra
International Conference on Physics Biology Interface, 11 (2009) Links | BibTeX | Tags: publication @article{1_66,
title = {Molecular Insights into the Switching Mechanism of add A-Riboswitch},
author = {Abhijit Mitra},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/519},
year = {2009},
date = {2009-12-11},
journal = {International Conference on Physics Biology Interface},
pages = {11},
organization = {ICPBI},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 260. | Graph theoretic approach for studying correlated motions in biomolecules Journal Article Abhijit Mitra Eshita Mutt, Monika Sharma, Abhijit Mitra, Jyothish Soman, Kothapalli Kishore, Naveena Yanamala World Congress on Nature & Biologically Inspired Computing (NaBIC), 9-11 (2009) Links | BibTeX | Tags: publication @article{22_69,
title = {Graph theoretic approach for studying correlated motions in biomolecules},
author = { Abhijit Mitra},
url = {https://ieeexplore.ieee.org/abstract/document/5393610},
year = {2009},
date = {2009-12-09},
journal = {World Congress on Nature & Biologically Inspired Computing (NaBIC)},
pages = {9-11},
publisher = {IEEE},
organization = {2009 World Congress on Nature & Biologically Inspired Computing (NaBIC)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 261. | Identifying structural repeats in proteins using graph centrality measures Journal Article Nita Parekh Ruchi Jain, Hari Krishna Yalamanchili, Nita Parekh World Congress on Nature & Biologically Inspired Computing (NaBIC), 317 , 1-25 (2009) Links | BibTeX | Tags: publication @article{22_71,
title = {Identifying structural repeats in proteins using graph centrality measures},
author = {Nita Parekh},
url = {https://ieeexplore.ieee.org/abstract/document/5393609},
year = {2009},
date = {2009-12-09},
journal = {World Congress on Nature & Biologically Inspired Computing (NaBIC)},
volume = {317},
pages = {1-25 },
publisher = {IEEE},
organization = {2009 World Congress on Nature & Biologically Inspired Computing (NaBIC)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 262. | MD simulations of ligand-bound and ligand-free aptamer: molecular level insights into the binding and switching mechanism of the add A-riboswitch Journal Article Abhijit Mitra Monika Sharma, Gopalakrishnan Bulusu, Abhijit Mitra RNA, 15 , 1673-1692 (2009) Links | BibTeX | Tags: publication @article{22_70,
title = {MD simulations of ligand-bound and ligand-free aptamer: molecular level insights into the binding and switching mechanism of the add A-riboswitch},
author = { Abhijit Mitra},
url = {https://rnajournal.cshlp.org/content/15/9/1673.short},
year = {2009},
date = {2009-11-01},
journal = {RNA},
volume = {15},
pages = {1673-1692},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 263. | Preferential cyclization in tetrahydrofuran amino acids. Journal Article Harjinder Singh N. V. Suresh Kumar,Purshotam Sharma,Tushar Kanti Chakraborty,Harjinder Singh 5th Singapore India Colloborative and Cooperative Chemistry Symposium (SLNCCC-5), Hyderabad, 1-10 (2009) Links | BibTeX | Tags: publication @article{1_72,
title = {Preferential cyclization in tetrahydrofuran amino acids.},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/433},
year = {2009},
date = {2009-09-01},
journal = {5th Singapore India Colloborative and Cooperative Chemistry Symposium (SLNCCC-5), Hyderabad},
pages = {1-10},
organization = {5th Singapore India Colloborative and Cooperative Chemistry Symposium (SLNCCC-5), Hyderabad},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 264. | Application of Optimal Control Theory to Control Nuclear Motion in Molecules Journal Article Harjinder Singh Harjinder singh Invited Talk: Discussion Meeting on Theoretical Chemistry, SSCU, IISc Centenary Conference Bangalore,, 1-11 (2009) Links | BibTeX | Tags: publication @article{22_73,
title = {Application of Optimal Control Theory to Control Nuclear Motion in Molecules},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/442},
year = {2009},
date = {2009-09-01},
journal = {Invited Talk: Discussion Meeting on Theoretical Chemistry, SSCU, IISc Centenary Conference Bangalore,},
pages = {1-11},
organization = {Invited Talk: Discussion Meeting on Theoretical Chemistry, SSCU, IISc Centenary Conference Bangalore},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 265. | Computational techniques in the study of dynamics of natural systems Journal Article Harjinder Singh Suvendu Giri,Harjinder Singh nvited talk: Proceedings of the UGC, DST and CFSL sponsored seminar on computer application for the 21st century: SYNERGIES and VISTAS, 22-40 (2009) Links | BibTeX | Tags: publication @article{22_74,
title = {Computational techniques in the study of dynamics of natural systems},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/425},
year = {2009},
date = {2009-09-01},
journal = {nvited talk: Proceedings of the UGC, DST and CFSL sponsored seminar on computer application for the 21st century: SYNERGIES and VISTAS},
pages = {22-40},
organization = {Invited talk: Proceedings of the UGC, DST and CFSL sponsored seminar on computer application for the 21st century: SYNERGIES and VISTAS, Pg. 22-40 Kolkata, Dec 2008.},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 266. | Design of laser pulses for selective vibrational excitation of the N6-H bond of adenine and adenine-thymine base pair using optimal control theory Journal Article Harjinder Singh Sitansh Sharma,Purshotam Sharma,Harjinder Singh,Gabriel Balint-Kurti Journal of Molecular Modeling,, 15 , 623-631 (2009) Links | BibTeX | Tags: publication @article{22_75,
title = {Design of laser pulses for selective vibrational excitation of the N6-H bond of adenine and adenine-thymine base pair using optimal control theory},
author = {Harjinder Singh},
url = {https://pubmed.ncbi.nlm.nih.gov/19057933/},
year = {2009},
date = {2009-09-01},
journal = { Journal of Molecular Modeling,},
volume = {15},
pages = {623-631},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 267. | Some theoretical insights into preferential mode of cyclization in tetrahydrofuran amino acids Journal Article Harjinder Singh N. V. Suresh Kumar,Purshotam Sharma,Tushar Kanti Chakraborty,Harjinder Singh Discussion meeting on Theoretical Chemistry (TCS-2009), Bangalore,, 18-22 (2009) Links | BibTeX | Tags: publication @article{1_73,
title = {Some theoretical insights into preferential mode of cyclization in tetrahydrofuran amino acids},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/454},
year = {2009},
date = {2009-09-01},
journal = {Discussion meeting on Theoretical Chemistry (TCS-2009), Bangalore,},
pages = {18-22},
organization = {Discussion meeting on Theoretical Chemistry (TCS-2009), Bangalore},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 268. | Optimal laser pulses for controlling molecular processes Journal Article Harjinder Singh Sitansh Sharma,Purshotam Sharma,Harjinder Singh,Gabriel Balint-Kurti 5th Singapore India Colloborative and Cooperative Chemistry Symposium (Slnccc-5), Hyderabad, 1-10 (2009) Links | BibTeX | Tags: publication @article{1_74,
title = {Optimal laser pulses for controlling molecular processes},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/419},
year = {2009},
date = {2009-09-01},
journal = {5th Singapore India Colloborative and Cooperative Chemistry Symposium (Slnccc-5), Hyderabad},
pages = {1-10},
organization = { 5th Singapore India Colloborative and Cooperative Chemistry Symposium (Slnccc-5},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 269. | Design of optimal laser pulses to control molecular motion Journal Article Harjinder Singh Sitansh Sharma,Purshotam Sharma,Harjinder Singh,Gabriel Balint-Kurti Discussion Meeting on Theoretical Chemistry, SSCU, IISc Centenary Conference, Bangalore,, 1-9 (2009) Links | BibTeX | Tags: publication @article{22_76,
title = {Design of optimal laser pulses to control molecular motion},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/420},
year = {2009},
date = {2009-09-01},
journal = {Discussion Meeting on Theoretical Chemistry, SSCU, IISc Centenary Conference, Bangalore,},
pages = {1-9},
organization = {Discussion Meeting on Theoretical Chemistry, SSCU, IISc Centenary Conference, Bangalore,},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 270. | Preferential mode of cyclization of tetrahydrofuran amino acids containing peptides: some theoretical insights Journal Article Harjinder Singh N. V. Suresh Kumar,Purshotam Sharma,Harjinder Singh,Dipankar Koley,Saumya Roy,Tushar Kanti Chakraborty J. Phys. Org. Chem., 1-20 (2009) Links | BibTeX | Tags: publication @article{22_77,
title = {Preferential mode of cyclization of tetrahydrofuran amino acids containing peptides: some theoretical insights},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/417},
year = {2009},
date = {2009-09-01},
journal = {J. Phys. Org. Chem.},
pages = {1-20},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 271. | Electronic Structure studies on base pairing interactions in Nucleic Acids Journal Article Harjinder Singh Purshotam Sharma,Sitansh Sharma,Harjinder Singh,Abhijit Mitra 5th Singapore India Colloborative and Cooperative Chemistry Symposium (SLNCCC-5), Hyderabad, , 1-5 (2009) Links | BibTeX | Tags: publication @article{22_78,
title = {Electronic Structure studies on base pairing interactions in Nucleic Acids},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/429},
year = {2009},
date = {2009-09-01},
journal = {5th Singapore India Colloborative and Cooperative Chemistry Symposium (SLNCCC-5), Hyderabad, },
pages = {1-5},
organization = {5th Singapore India Colloborative and Cooperative Chemistry Symposium (SLNCCC-5)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 272. | Electronic Structure Studies of Interactions in Novel Nucleic Acid Systems: Functional RNA and Size Expanded DNA Journal Article Harjinder Singh Purshotam Sharma,Sitansh Sharma,Harjinder Singh,Abhijit Mitra Discussion meeting on Theoretical Chemistry (TCS-2009), Bangalore, 1-9 (2009) Links | BibTeX | Tags: publication @article{22_79,
title = {Electronic Structure Studies of Interactions in Novel Nucleic Acid Systems: Functional RNA and Size Expanded DNA},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/421},
year = {2009},
date = {2009-08-28},
journal = {Discussion meeting on Theoretical Chemistry (TCS-2009), Bangalore},
pages = {1-9},
organization = { Discussion meeting on Theoretical Chemistry (TCS-2009), Bangalore, },
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 273. | Method for Preparing Carbon Supported Pt− Ru Nanoparticles with Controlled Internal Structure Journal Article Tapan Kumar Sau Tapan Kumar Sau, Marco Lopez, Dan V Goia Chemistry of Materials, 21 , 3649–3654 (2009) Links | BibTeX | Tags: publication @article{23_27,
title = {Method for Preparing Carbon Supported Pt− Ru Nanoparticles with Controlled Internal Structure},
author = {Tapan Kumar Sau},
url = {https://pubs.acs.org/doi/abs/10.1021/cm9010629},
year = {2009},
date = {2009-08-11},
journal = {Chemistry of Materials},
volume = {21},
pages = {3649–3654},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 274. | A Theoretical Study on Interaction of Small Gold Clusters Aun (n = 4, 6, 8) with xDNA Base Pairs Journal Article Harjinder Singh Purshotam Sharma, Sitansh Sharma, Abhijit Mitra, Harjinder Singh Journal of Biomolecular Structure and Dynamics, 27 , 65-81 (2009) Links | BibTeX | Tags: publication @article{66c,
title = {A Theoretical Study on Interaction of Small Gold Clusters Aun (n = 4, 6, 8) with xDNA Base Pairs},
author = {Harjinder Singh},
url = {https://www.tandfonline.com/doi/abs/10.1080/07391102.2009.10507297},
year = {2009},
date = {2009-08-01},
journal = {Journal of Biomolecular Structure and Dynamics},
volume = {27},
pages = {65-81},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 275. | Raman scattering from single gold nanostars Journal Article Tapan Kumar Sau Calin Hrelescu, Tapan Kumar Sau, Andrey Rogach, Frank Jaeckel, Jochen Feldmann U.S. Department of Energy Office of Scientific and Technical Information, 1-2 (2009) Links | BibTeX | Tags: publication @article{22_72,
title = {Raman scattering from single gold nanostars},
author = { Tapan Kumar Sau},
url = {https://www.osti.gov/etdeweb/biblio/21301838},
year = {2009},
date = {2009-07-01},
journal = {U.S. Department of Energy Office of Scientific and Technical Information},
pages = {1-2},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 276. | Controlling loading and optical properties of gold nanoparticles on liposome membranes Journal Article Tapan Kumar Sau Tapan Kumar Sau, Alexander S Urban, Srujan K Dondapati, Michael Fedoruk, Margaret R Horton, Andrey L Rogach, Fernando D Stefani, Joachim O Rädler, Jochen Feldmann Colloids and Surfaces A: Physicochemical and Engineering Aspects, 342 , 92-96 (2009) Links | BibTeX | Tags: publication @article{55g,
title = {Controlling loading and optical properties of gold nanoparticles on liposome membranes},
author = {Tapan Kumar Sau},
url = {https://www.sciencedirect.com/science/article/abs/pii/S0927775709002210},
year = {2009},
date = {2009-06-15},
journal = {Colloids and Surfaces A: Physicochemical and Engineering Aspects},
volume = {342},
pages = { 92-96},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 277. | Molecular Modeling of Base Flipping in DNA Journal Article U. Deva Priyakumar U Deva Priyakumar, Alexander D MacKerell Jr DNA and RNA Modification Enzymes, 1-51 (2009) Links | BibTeX | Tags: publication @article{23_28,
title = {Molecular Modeling of Base Flipping in DNA},
author = {U. Deva Priyakumar},
url = {https://books.google.co.in/books?hl=en&lr=&id=6iZiDwAAQBAJ&oi=fnd&pg=PA51&dq=info:DmEL7PF0usYJ:scholar.google.com&ots=o6aknLkszy&sig=Y24TSKT2kUsvCVyaIVUcF_JzvTs&redir_esc=y#v=onepage&q&f=false},
year = {2009},
date = {2009-06-11},
journal = {DNA and RNA Modification Enzymes},
pages = {1-51},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 278. | A Theoretical Study on Interaction of Small Gold Clusters Aun (n = 4, 6, 8) with xDNA Base Pairs Journal Article Harjinder Singh Purshotam Sharma,Sitansh Sharma,Abhijit Mitra,Harjinder Singh Journal of Biomolecular Structure and Dynamics,, 27 , 65-85 (2009) Links | BibTeX | Tags: publication @article{56k,
title = {A Theoretical Study on Interaction of Small Gold Clusters Aun (n = 4, 6, 8) with xDNA Base Pairs},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/article/41},
year = {2009},
date = {2009-06-05},
journal = {Journal of Biomolecular Structure and Dynamics,},
volume = {27},
pages = {65-85},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 279. | A Theoretical Study on Interaction of Small Gold Clusters Aun (n = 4, 6, 8) with xDNA Base Pairs Journal Article Harjinder Singh Purshotam Sharma,Sitansh Sharma,Abhijit Mitra,Harjinder Singh Journal of Biomolecular Structure and Dynamics,, 27 , 65-85 (2009) Links | BibTeX | Tags: publication @article{56kb,
title = {A Theoretical Study on Interaction of Small Gold Clusters Aun (n = 4, 6, 8) with xDNA Base Pairs},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/article/41},
year = {2009},
date = {2009-06-05},
journal = {Journal of Biomolecular Structure and Dynamics,},
volume = {27},
pages = {65-85},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 280. | Modeling the noncovalent interactions at the metabolite binding site in purine riboswitches Journal Article Abhijit Mitra Purshotam Sharma, Sitansh Sharma, Mohit Chawla, Abhijit Mitra Journal of molecular modeling, 15 , 633–649( (2009) Links | BibTeX | Tags: publication @article{44e,
title = {Modeling the noncovalent interactions at the metabolite binding site in purine riboswitches },
author = {Abhijit Mitra},
url = {https://link.springer.com/article/10.1007/s00894-008-0384-y},
year = {2009},
date = {2009-06-01},
journal = {Journal of molecular modeling},
volume = {15},
pages = {633–649(},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 281. | Graph spectral approach for identifying protein domains Conference Nita Parekh Hari Krishna Yalamanchili, Nita Parekh International Conference on Bioinformatics and Computational Biology (2009). Links | BibTeX | Tags: publication @conference{33d,
title = {Graph spectral approach for identifying protein domains},
author = {Nita Parekh},
url = {https://link.springer.com/chapter/10.1007/978-3-642-00727-9_40},
year = {2009},
date = {2009-04-08},
pages = {11},
organization = {International Conference on Bioinformatics and Computational Biology},
keywords = {publication},
pubstate = {published},
tppubtype = {conference}
}
|
| 282. | An experiment on introducing human values courses in undergraduate curriculum of engineering education Journal Article Abhijit Mitra Ramancharla Pradeep Kumar, Rajeev Sangal, Abhijit Mitra, Navjyoti Singh, Kamalkar Karalapalem Hyderabad: IIIT, (2009) Links | BibTeX | Tags: p, publication @article{1_67,
title = {An experiment on introducing human values courses in undergraduate curriculum of engineering education},
author = {Abhijit Mitra},
url = {https://www.researchgate.net/profile/Abhijit_Mitra/publication/268008898_An_Experiment_on_Introducing_Human_Values_Course_in_Undergraduate_Curriculum_of_Engineering_Education/links/546a50220cf2397f7830169b.pdf},
year = {2009},
date = {2009-03-25},
journal = {Hyderabad: IIIT},
keywords = {p, publication},
pubstate = {published},
tppubtype = {article}
}
|
| 283. | Trans Hoogsteen/sugar edge base pairing in RNA. Structures, energies, and stabilities from quantum chemical calculations Journal Article Abhijit Mitra Arnost Mladek, Purshotam Sharma, Abhijit Mitra, Dhananjay Bhattacharyya, Jiří Šponer, Judit E Šponer The Journal of Physical Chemistry B, 113 , 12 (2009) Links | BibTeX | Tags: publication @article{23_26,
title = {Trans Hoogsteen/sugar edge base pairing in RNA. Structures, energies, and stabilities from quantum chemical calculations},
author = {Abhijit Mitra},
url = {https://pubs.acs.org/doi/abs/10.1021/jp808357m},
year = {2009},
date = {2009-02-12},
journal = {The Journal of Physical Chemistry B},
volume = {113},
pages = {12},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 284. | Comparative modeling of thioredoxin glutathione reductase from Schistosoma mansoni: a multifunctional target for antischistosomal therapy Journal Article Abhijit Mitra
Monika Sharma, Smriti Khanna, Gopalakrishnan Bulusu, Abhijit Mitra
Journal of Molecular Graphics and Modelling, 27 , 10 (2009) Links | BibTeX | Tags: publication @article{59x,
title = {Comparative modeling of thioredoxin glutathione reductase from Schistosoma mansoni: a multifunctional target for antischistosomal therapy},
author = {Abhijit Mitra
},
url = {https://www.sciencedirect.com/science/article/pii/S1093326308001472},
year = {2009},
date = {2009-02-01},
journal = {Journal of Molecular Graphics and Modelling},
volume = {27},
pages = {10},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 285. | Molecular dynamics investigations for understanding protein folding mechanism of a small two-helix protein Journal Article Harjinder singh Monika Sharma,Harjinder Singh,Abhijit Mitra Discussion Meeting on Theoretical Chemistry , 18-22 (2009) Links | BibTeX | Tags: publication @article{22_80,
title = {Molecular dynamics investigations for understanding protein folding mechanism of a small two-helix protein},
author = {Harjinder singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/432},
year = {2009},
date = {2009-01-18},
journal = {Discussion Meeting on Theoretical Chemistry },
pages = {18-22},
organization = {Discussion Meeting on Theoretical Chemistry (TCS-2009),},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
2008
|
| 286. | Molecular Dynamics Studies to Investigate Thermostability of Mutant Lipases Journal Article Harjinder Singh Harjinder Singh Bioconvene 2007, International conference on Bioinformatics and Drug Discovery, 20-40 (2008) Links | BibTeX | Tags: publication @article{22_88,
title = {Molecular Dynamics Studies to Investigate Thermostability of Mutant Lipases},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/280},
year = {2008},
date = {2008-12-22},
journal = { Bioconvene 2007, International conference on Bioinformatics and Drug Discovery},
pages = {20-40},
organization = {Bioconvene 2007, International conference on Bioinformatics and Drug Discovery,},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 287. | Structure Simulation of Pentapeptide with Real valued Genetic Algorithm Journal Article Harjinder Singh Madhu Smitha,Abhijit Mitra,Harjinder Singh,Kamalakar Karlapalem BioConvene 2007, International conference on Bioinformatics and Drug Discovery,, 1-20 (2008) Links | BibTeX | Tags: publication @article{22_89,
title = {Structure Simulation of Pentapeptide with Real valued Genetic Algorithm},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/277},
year = {2008},
date = {2008-12-22},
journal = {BioConvene 2007, International conference on Bioinformatics and Drug Discovery,},
pages = {1-20},
organization = {BioConvene 2007, International conference on Bioinformatics and Drug Discovery,},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 288. | ab initio quantum mechanical studies of a pH dependant G:G conformational switch Journal Article Harjinder Singh Purshotam Sharma,Sitansh Sharma,Harjinder Singh,Abhijit Mitra,Dhananjay Bhattacharyya Bioconvene 2007, International conference on Bioinformatics and Drug Discovery, 1-20 (2008) Links | BibTeX | Tags: publication @article{56l,
title = {ab initio quantum mechanical studies of a pH dependant G:G conformational switch},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/314},
year = {2008},
date = {2008-12-22},
journal = {Bioconvene 2007, International conference on Bioinformatics and Drug Discovery},
pages = {1-20},
organization = { Bioconvene 2007, International conference on Bioinformatics and Drug Discovery, December 20-22, 2007 : University of Hyderabad, Hyderabad, India.},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 289. | Integrated Genomic Island Prediction Tool (IGIPT) Journal Article Nita Parekh Ruchi Jain, Sandeep Ramineni, Nita Parekh International Conference on Information Technology , 1-2 (2008) Links | BibTeX | Tags: publication @article{22_84,
title = {Integrated Genomic Island Prediction Tool (IGIPT)},
author = { Nita Parekh},
url = {https://ieeexplore.ieee.org/abstract/document/4731313},
year = {2008},
date = {2008-12-17},
journal = {International Conference on Information Technology },
pages = {1-2},
publisher = {IEEE},
organization = {2008 International Conference on Information Technology},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 290. | Real Valued Genetic Algorithm Based Approach for Protein Structure Prediction - Role of Biophysical Filters for reduction of Conformational Search Space Journal Article Harjinder Singh Madhu Smitha,Abhijit Mitra,Harjinder Singh Third IAPR International Conference on Pattern Recognition in Bioinformatics PRIB, 1-9 (2008) Links | BibTeX | Tags: publication @article{22_90,
title = {Real Valued Genetic Algorithm Based Approach for Protein Structure Prediction - Role of Biophysical Filters for reduction of Conformational Search Space},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/259},
year = {2008},
date = {2008-10-15},
journal = {Third IAPR International Conference on Pattern Recognition in Bioinformatics PRIB},
pages = {1-9},
organization = {Third IAPR International Conference on Pattern Recognition in Bioinformatics PRIB},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 291. | A real valued Genetic Algorithm for generating native like structure of small globular protein Journal Article Harjinder Singh Harjinder Singh, Kamalakar Karlapalem, Abhijit Mitra Annual International Conference of the IEEE Engineering in Medicine and Biology Society, 1-4 (2008) Links | BibTeX | Tags: publication @article{1_76,
title = {A real valued Genetic Algorithm for generating native like structure of small globular protein},
author = {Harjinder Singh},
url = {https://ieeexplore.ieee.org/abstract/document/4649417},
year = {2008},
date = {2008-08-20},
journal = {Annual International Conference of the IEEE Engineering in Medicine and Biology Society},
pages = {1-4},
publisher = {IEEE},
organization = {2008 30th Annual International Conference of the IEEE Engineering in Medicine and Biology Society},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 292. | Graph Spectral Analysis of Protein Repeat Families Journal Article Nita Parekh Nita parekh Recent Developments and Applications of Probability Theory, Random Process and Random Variables in Computer Science, 215-222 (2008) Links | BibTeX | Tags: publication @article{1_77,
title = {Graph Spectral Analysis of Protein Repeat Families},
author = {Nita Parekh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/500},
year = {2008},
date = {2008-08-14},
journal = {Recent Developments and Applications of Probability Theory, Random Process and Random Variables in Computer Science},
pages = {215-222},
organization = {National Conference on Recent Developments and Applications of Probability Theory, Random Process and Random Variables in Computer Science},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 293. | Optimal Control Theory and the design of Laser pulses to control molecular motion Journal Article Harjinder singh Gabriel Balint-Kurti,Qinghua Ren,Cristina Sanz,Shiyang Zou,Harjinder Singh,Sitansh Sharma,Praveen Kumar,Thomas Herrmann,Jeremy N Harvey,Frederick R Manby Computational Molecular Science, 1-15 (2008) Links | BibTeX | Tags: publication @article{22_85,
title = {Optimal Control Theory and the design of Laser pulses to control molecular motion},
author = {Harjinder singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/227},
year = {2008},
date = {2008-07-19},
journal = {Computational Molecular Science},
pages = {1-15},
organization = { Computational Molecular Science 2008, 22-24 July 2008, cirencester, UK,},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 294. | Noncanonical Base Pairing in RNA: Topological and NBO Analysis of Hoogsteen Edge-Sugar Edge Interactions Journal Article Harjinder Singh Purshotam Sharma, Harjinder Singh, Abhijit Mitra Computational Science, 379-386 (2008) Links | BibTeX | Tags: publication @article{22_82,
title = {Noncanonical Base Pairing in RNA: Topological and NBO Analysis of Hoogsteen Edge-Sugar Edge Interactions},
author = {Harjinder Singh},
url = {https://link.springer.com/chapter/10.1007/978-3-540-69387-1_42},
year = {2008},
date = {2008-06-23},
journal = {Computational Science},
pages = { 379-386},
publisher = {Springer, Berlin, Heidelberg},
organization = {International Conference on Computational Science},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 295. | Design of Optimal Laser fields to control vibrational excitations in Carboxy-myoglobin Journal Article Harjinder Singh Harjinder Singh,Sitansh Sharma,Jeremy N Harvey,Praveen Kumar,Gabriel G Balint-Kurti Proceedings of International Conference of Computer Science, 1-10 (2008) Links | BibTeX | Tags: publication @article{1_80,
title = {Design of Optimal Laser fields to control vibrational excitations in Carboxy-myoglobin},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/328},
year = {2008},
date = {2008-06-21},
journal = {Proceedings of International Conference of Computer Science},
pages = {1-10},
organization = {Proceedings of International Conference of Computer Science, Crackow, Poland, June 2008},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 296. | State of the art quantum chemical calculations of structures and properties of medium sized molecular systems Journal Article Harjinder Singh Harjinder Singh Proceedings of the National Symposim on "Modern Trends in Chemistry: Molecules to Materials", 1-15 (2008) Links | BibTeX | Tags: publication @article{22_87,
title = {State of the art quantum chemical calculations of structures and properties of medium sized molecular systems},
author = { Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/325},
year = {2008},
date = {2008-06-21},
journal = {Proceedings of the National Symposim on "Modern Trends in Chemistry: Molecules to Materials"},
pages = {1-15},
organization = {Proceedings of the National Symposim on "Modern Trends in Chemistry: Molecules to Materials" (Invited Talk), JNU, New Delhi, March, 2008},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 297. | Variation of conformational propensity of different amino acids within disallowed and allowed regions of the Ramachandran Plot Journal Article Harjinder Singh Madhu Smitha,Harjinder Singh,Abhijit Mitra International Conference on Bioinformatics and Drug Discovery, Bioconvene , 1-9 (2008) Links | BibTeX | Tags: publication @article{22_86,
title = {Variation of conformational propensity of different amino acids within disallowed and allowed regions of the Ramachandran Plot},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/330},
year = {2008},
date = {2008-06-13},
journal = {International Conference on Bioinformatics and Drug Discovery, Bioconvene },
pages = {1-9},
organization = {nternational Conference on Bioinformatics and Drug Discovery, Bioconvene 2007, December 20-22 (2007) University of Hyderabad, Hyderabad},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 298. | A Real Valued Genetic Algorithm for Generating Native Like Structure of Small Globular Protein Journal Article Harjinder Singh Madhu Smitha,Harjinder Singh,Kamalakar Karlapalem,Abhijit Mitra EEE EMBC'08, 30th Annual International Conference of the IEEE Engineering in Medicine and Biology, 1-5 (2008) Links | BibTeX | Tags: publication @article{23_32,
title = {A Real Valued Genetic Algorithm for Generating Native Like Structure of Small Globular Protein},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/299},
year = {2008},
date = {2008-06-13},
journal = {EEE EMBC'08, 30th Annual International Conference of the IEEE Engineering in Medicine and Biology},
pages = {1-5},
organization = {IEEE EMBC'08, 30th Annual International Conference of the IEEE Engineering in Medicine and Biology, August 20-24 (2008) Vancouver, British Columbia, Canada.},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 299. | Optimally Controlled Vibrational Population Transfer in a Diatomic Quantum System Journal Article Harjinder Singh Praveen Kumar,Sitansh Sharma,Harjinder Singh Journal of Theoretical and Computational Chemistry, 5 , 1-9 (2008) Links | BibTeX | Tags: publication @article{32d,
title = {Optimally Controlled Vibrational Population Transfer in a Diatomic Quantum System},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/article/30},
year = {2008},
date = {2008-06-10},
journal = {Journal of Theoretical and Computational Chemistry},
volume = {5},
pages = {1-9},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 300. | Design of Optimal Laser Fields to Control Molecular Vibrational Excitations Journal Article Harjinder Singh Harjinder Singh,Sitansh Sharma,Praveen Kumar,Jeremy N Harvey,Gabriel G Balint-Kurti Presented at CMS, 1-11 (2008) Links | BibTeX | Tags: publication @article{1_81,
title = {Design of Optimal Laser Fields to Control Molecular Vibrational Excitations},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/287},
year = {2008},
date = {2008-06-10},
journal = {Presented at CMS},
pages = {1-11},
organization = {Presented at CMS-2008},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
