2015
|
| 151. | Single productions of colored particles at the LHC: an example with scalar leptoquarks Journal Article Subhadip Mitra Tanumoy Mandal, Subhadip Mitra, Satyajit Seth Journal of High Energy Physics, 28 , 2256-2262 (2015) Links | BibTeX | Tags: publication @article{59f,
title = {Single productions of colored particles at the LHC: an example with scalar leptoquarks},
author = {Subhadip Mitra},
url = {https://link.springer.com/article/10.1007/JHEP07(2015)028},
year = {2015},
date = {2015-07-01},
journal = {Journal of High Energy Physics},
volume = {28},
pages = {2256-2262},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 152. | BREATH ACETONE-BASED NON-INVASIVE DETECTION OF BLOOD GLUCOSE LEVELS Journal Article Tapan Kumar Sau Anand Thati, Arunangshu Biswas, Shubhajit Roy Chowdhury, Tapan Kumar Sau INTERNATIONAL JOURNAL ON SMART SENSING AND INTELLIGENT SYSTEMS, 8 , 665-721 (2015) Links | BibTeX | Tags: publication @article{23g,
title = {BREATH ACETONE-BASED NON-INVASIVE DETECTION OF BLOOD GLUCOSE LEVELS},
author = {Tapan Kumar Sau},
url = {https://core.ac.uk/download/pdf/194811138.pdf},
year = {2015},
date = {2015-06-25},
journal = {INTERNATIONAL JOURNAL ON SMART SENSING AND INTELLIGENT SYSTEMS},
volume = {8},
pages = {665-721},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 153. | Ion hydration dynamics in conjunction with a hydrophobic gating mechanism regulates ion permeation in p7 viroporin from hepatitis C virus Journal Article U. Deva Priyakumar Siladitya Padhi, U. Deva Priyakumar The Journal of Physical Chemistry B, 119 , 6204–6210 (2015) Links | BibTeX | Tags: publication @article{22_32,
title = {Ion hydration dynamics in conjunction with a hydrophobic gating mechanism regulates ion permeation in p7 viroporin from hepatitis C virus},
author = {U. Deva Priyakumar},
url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.5b02759},
year = {2015},
date = {2015-05-21},
journal = {The Journal of Physical Chemistry B},
volume = {119},
pages = {6204–6210},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 154. | Binding to gold nanoclusters alters the hydrogen bonding interactions and electronic properties of canonical and size-expanded DNA base pairs Journal Article U. Deva Priyakumar Sandhya Rai, Harjinder Singh, U. Deva Priyakumar RSC Advances, 5 , 49408-49419 (2015) Links | BibTeX | Tags: publication @article{22_33,
title = {Binding to gold nanoclusters alters the hydrogen bonding interactions and electronic properties of canonical and size-expanded DNA base pairs},
author = {U. Deva Priyakumar},
url = {https://pubs.rsc.org/en/content/articlehtml/2015/ra/c5ra04668h},
year = {2015},
date = {2015-05-19},
journal = {RSC Advances},
volume = {5},
pages = {49408-49419},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 155. | Small-molecule inhibitors of ERK-mediated immediate early gene expression and proliferation of melanoma cells expressing mutated BRaf Journal Article U. Deva Priyakumar Ramin Samadani, Jun Zhang, Amanda Brophy, Taiji Oashi, U. Deva Priyakumar, E Prabhu Raman, Franz J St John, Kwan-Young Jung, Steven Fletcher, Edwin Pozharski, Alexander D MacKerell Jr, Paul Shapiro Biochemical Journal, 467 , 425–438 (2015) Links | BibTeX | Tags: publication @article{1_37,
title = {Small-molecule inhibitors of ERK-mediated immediate early gene expression and proliferation of melanoma cells expressing mutated BRaf},
author = {U. Deva Priyakumar},
url = {https://portlandpress.com/biochemj/article-abstract/467/3/425/48478/Small-molecule-inhibitors-of-ERK-mediated?redirectedFrom=fulltext},
year = {2015},
date = {2015-05-01},
journal = {Biochemical Journal},
volume = {467},
pages = {425–438},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 156. | Dynamics based pharmacophore models for screening potential inhibitors of mycobacterial cyclopropane synthase Journal Article U. Deva Priyakumar Chinmayee Choudhury, U. Deva Priyakumar, G Narahari Sastry Journal of chemical information and modeling, 55 , 848–860 (2015) Links | BibTeX | Tags: publication @article{1_38,
title = {Dynamics based pharmacophore models for screening potential inhibitors of mycobacterial cyclopropane synthase},
author = {U. Deva Priyakumar},
url = {https://pubs.acs.org/doi/abs/10.1021/ci500737b},
year = {2015},
date = {2015-04-27},
journal = {Journal of chemical information and modeling},
volume = {55},
pages = {848–860},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 157. | Prediction of the structures of helical membrane proteins based on a minimum unfavorable contacts approach Journal Article U. Deva Priyakumar Siladitya Padhi, Siddabattula Ramakrishna, U. Deva Priyakumar Journal of computational chemistry, 36 , 539-552 (2015) Links | BibTeX | Tags: publication @article{23i,
title = {Prediction of the structures of helical membrane proteins based on a minimum unfavorable contacts approach},
author = {U. Deva Priyakumar},
url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.23828},
year = {2015},
date = {2015-03-30},
journal = {Journal of computational chemistry},
volume = {36},
pages = {539-552},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 158. | Model scenarios for switch-like mitotic transitions Journal Article Vinod PK Vinod PK , Bela Novak FEBS letters, 589 , 667-671 (2015) Links | BibTeX | Tags: publication @article{23l,
title = {Model scenarios for switch-like mitotic transitions},
author = {Vinod PK},
url = {https://www.sciencedirect.com/science/article/pii/S0014579315000873},
year = {2015},
date = {2015-03-12},
journal = {FEBS letters},
volume = {589},
pages = {667-671},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 159. | Dispersion interactions between urea and nucleobases contribute to the destabilization of RNA by urea in aqueous solution Journal Article U. Deva Priyakumar Koushik Kasavajhala, Swetha Bikkina, Indrajit Patil, Alexander D MacKerell Jr, U. Deva Priyakumar The Journal of Physical Chemistry B, 119 , 3755–3761 (2015) Links | BibTeX | Tags: publication @article{59d,
title = {Dispersion interactions between urea and nucleobases contribute to the destabilization of RNA by urea in aqueous solution},
author = {U. Deva Priyakumar},
url = {https://pubs.acs.org/doi/abs/10.1021/jp512414f},
year = {2015},
date = {2015-03-05},
journal = {The Journal of Physical Chemistry B},
volume = {119},
pages = {3755–3761},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 160. | Theoretical studies of Raman scattering properties of methylphosphine and methylamine adsorbed on gold clusters Journal Article Tapan Kumar Sau Shweta Bhardwaj,Sandhya Rai,Tapan Kumar Sau,Harjinder Singh Vibrational Spectroscopy, 76 , 38-47 (2015) Links | BibTeX | Tags: publication @article{22_35,
title = {Theoretical studies of Raman scattering properties of methylphosphine and methylamine adsorbed on gold clusters},
author = {Tapan Kumar Sau},
url = {https://www.sciencedirect.com/science/article/abs/pii/S0924203114001805},
year = {2015},
date = {2015-02-02},
journal = { Vibrational Spectroscopy},
volume = {76},
pages = {38-47},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 161. | Understanding the Thermostability and Activity of Bacillus subtilis Lipase Mutants: Insights from Molecular Dynamics Simulations Journal Article Abhijit Mitra Bipin Singh, Gopalakrishnan Bulusu, Abhijit Mitra The Journal of Physical Chemistry B, 119 , 392–409 (2015) Links | BibTeX | Tags: publication @article{1_30,
title = {Understanding the Thermostability and Activity of Bacillus subtilis Lipase Mutants: Insights from Molecular Dynamics Simulations},
author = {Abhijit Mitra},
url = {https://pubs.acs.org/doi/abs/10.1021/jp5079554},
year = {2015},
date = {2015-01-15},
journal = {The Journal of Physical Chemistry B},
volume = {119},
pages = { 392–409},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 162. | RNABP COGEST: a resource for investigating functional RNAs Journal Article Abhijit Mitra Sohini Bhattacharya, Shriyaa Mittal, Swati Panigrahi, Purshotam Sharma, Preethi SP, Rahul Paul, Sukanya Halder, Antarip Halder, Dhananjay Bhattacharyya, Abhijit Mitra Database, 2015 , 2566-2599 (2015) Links | BibTeX | Tags: publication @article{1_31,
title = {RNABP COGEST: a resource for investigating functional RNAs},
author = {Abhijit Mitra},
url = {https://academic.oup.com/database/article/doi/10.1093/database/bav011/2433143},
year = {2015},
date = {2015-01-01},
journal = {Database},
volume = {2015},
pages = {2566-2599},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 163. | Theoretical studies of Raman scattering properties of methylphosphine and methylamine adsorbed on gold clusters Journal Article Harjinder Singh Shweta Bhardwaj, Sandhya Rai, Tapan Kumar Sau, Harjinder Singh Vibrational Spectroscopy, 76 , 38-47 (2015) Links | BibTeX | Tags: publication @article{23h,
title = {Theoretical studies of Raman scattering properties of methylphosphine and methylamine adsorbed on gold clusters},
author = {Harjinder Singh},
url = {https://www.sciencedirect.com/science/article/abs/pii/S0924203114001805},
year = {2015},
date = {2015-01-01},
journal = {Vibrational Spectroscopy},
volume = {76},
pages = {38-47},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
2014
|
| 164. | Identifying tandem Ankyrin repeats in protein structures Journal Article Nita Parekh Broto Chakrabarty, Nita Parekh BMC bioinformatics, 15 , 6599 (2014) Links | BibTeX | Tags: publication @article{22_37,
title = {Identifying tandem Ankyrin repeats in protein structures},
author = {Nita Parekh},
url = {https://link.springer.com/article/10.1186/s12859-014-0440-9},
year = {2014},
date = {2014-12-30},
journal = {BMC bioinformatics},
volume = {15},
pages = {6599},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 165. | Relaxed neighbor based graph transformations for effective preprocessing: A function prediction case study Journal Article Nita Parekh D Satheesh Kumar, Polepalli Krishna Reddy, Nita Parekh International Conference on Big Data Analytics, 8883 , 114-128 (2014) Links | BibTeX | Tags: publication @article{22_38,
title = {Relaxed neighbor based graph transformations for effective preprocessing: A function prediction case study},
author = {Nita Parekh},
url = {https://link.springer.com/chapter/10.1007/978-3-319-13820-6_9},
year = {2014},
date = {2014-12-20},
journal = {International Conference on Big Data Analytics},
volume = {8883},
pages = {114-128},
address = {International Conference on Big Data Analytics},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 166. | Exploring the Catalytic Potential of DNA/x-DNA Base−Gold Nanocluster Complex Journal Article U. Deva Priyakumar Sandhya Rai,Harjinder Singh,U. Deva Priyakumar Theoretical Chemistry Symposium, 11 , 112-119 (2014) Links | BibTeX | Tags: publication @article{1_45,
title = {Exploring the Catalytic Potential of DNA/x-DNA Base−Gold Nanocluster Complex},
author = {U. Deva Priyakumar},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/1219},
year = {2014},
date = {2014-12-18},
journal = { Theoretical Chemistry Symposium},
volume = {11},
pages = {112-119},
address = {Pune},
organization = {The 14 th Theoretical Chemistry Symposium (TCS 2014 2014)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 167. | Graph centrality analysis of structural ankyrin repeats Journal Article Nita Parekh Broto Chakrabarty, Nita Parekh International Journal of Computer Information Systems and Industrial Management Applications. , 6 , 55-62 (2014) Links | BibTeX | Tags: publication @article{1_42,
title = {Graph centrality analysis of structural ankyrin repeats},
author = {Nita Parekh},
url = {https://www.researchgate.net/publication/297768537_Graph_Centrality_Analysis_of_Structural_Ankyrin_Repeats},
year = {2014},
date = {2014-12-17},
journal = {International Journal of Computer Information Systems and Industrial Management Applications. },
volume = {6},
pages = {55-62},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 168. | Atomistic detailed mechanism and weak cation-conducting activity of HIV-1 Vpu revealed by free energy calculations Journal Article U. Deva Priyakumar Siladitya Padhi, Raghunadha Reddy Burri, Shahid Jameel, U. Deva Priyakumar PloS one, 9 , e112983 (2014) Links | BibTeX | Tags: publication @article{22_40,
title = {Atomistic detailed mechanism and weak cation-conducting activity of HIV-1 Vpu revealed by free energy calculations},
author = {U. Deva Priyakumar},
url = {https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0112983},
year = {2014},
date = {2014-11-13},
journal = {PloS one},
volume = {9},
pages = {e112983},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 169. | Implementation of Kirchhoff-Helmholtz transform on GPU for use in digital in-line holographic microscopy Journal Article Prabhakar Bhimalapuram Gagandeep Singh, Manish Shukla, Prabhakar Bhimalapuram, Kishore Kothapalli 9 , 1-9 (2014) Links | BibTeX | Tags: p @article{22_39,
title = {Implementation of Kirchhoff-Helmholtz transform on GPU for use in digital in-line holographic microscopy},
author = {Prabhakar Bhimalapuram},
url = {https://dl.acm.org/doi/abs/10.1145/2675744.2675755},
year = {2014},
date = {2014-10-09},
booktitle = {Proceedings of the 7th ACM India Computing Conference},
volume = {9},
pages = {1-9},
keywords = {p},
pubstate = {published},
tppubtype = {article}
}
|
| 170. | RNA Structural Bioinformatics Journal Article Abhijit Mitra Sohini Bhattacharya, Eshita Mutt, Abhijit Mitra Proceedings of Andhra Pradesh Akademi of Sciences, 15 , 699-744 (2014) Links | BibTeX | Tags: publication @article{22_36,
title = {RNA Structural Bioinformatics},
author = { Abhijit Mitra},
url = {https://www.researchgate.net/publication/266478232_RNA_Structural_Bioinformatics},
year = {2014},
date = {2014-09-17},
journal = {Proceedings of Andhra Pradesh Akademi of Sciences},
volume = {15},
pages = {699-744},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 171. | PRIGSA: Protein repeat identification by graph spectral analysis Journal Article Nita Parekh Broto Chakrabarty, Nita Parekh Journal of bioinformatics and computational biology, 12 (6), 1442009 (2014) Links | BibTeX | Tags: publication @article{23o,
title = {PRIGSA: Protein repeat identification by graph spectral analysis},
author = { Nita Parekh},
url = {https://pubmed.ncbi.nlm.nih.gov/25385083/},
year = {2014},
date = {2014-09-12},
journal = {Journal of bioinformatics and computational biology},
volume = {12},
number = {6},
pages = {1442009},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 172. | Optimal initiation of electronic excited state mediated intramolecular H-transfer in malonaldehyde by UV-laser pulses Journal Article Harjinder Singh K. R. Nandipati,Harjinder Singh,S. Nagaprasad Reddy,K.A. Kumar, Susanta Mahapatra THE EUROPEAN PHYSICAL JOURNAL D, 68 , 355 (2014) Links | BibTeX | Tags: publication @article{59h,
title = {Optimal initiation of electronic excited state mediated intramolecular H-transfer in malonaldehyde by UV-laser pulses},
author = {Harjinder Singh},
url = {https://link.springer.com/article/10.1140/epjd/e2014-50486-6},
year = {2014},
date = {2014-09-05},
journal = {THE EUROPEAN PHYSICAL JOURNAL D},
volume = {68},
pages = {355},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 173. | DNA–RNA hybrid duplexes with decreasing pyrimidine content in the DNA strand provide structural snapshots for the A-to B-form conformational transition of nucleic acids Journal Article U. Deva Priyakumar Gorle Suresh, U Deva Priyakumar Physical Chemistry Chemical Physics, 16 , 18148-18155 (2014) Links | BibTeX | Tags: publication @article{23r,
title = {DNA–RNA hybrid duplexes with decreasing pyrimidine content in the DNA strand provide structural snapshots for the A-to B-form conformational transition of nucleic acids},
author = { U. Deva Priyakumar},
url = {https://pubs.rsc.org/en/content/articlelanding/2014/cp/c4cp02478h/unauth#!divAbstract},
year = {2014},
date = {2014-07-15},
journal = {Physical Chemistry Chemical Physics},
volume = {16},
pages = {18148-18155},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 174. | Feasibility of occurrence of different types of protonated base pairs in RNA: a quantum chemical study Journal Article Abhijit mitra Antarip Halder, Sukanya Halder, Dhananjay Bhattacharyya, Abhijit Mitra Physical Chemistry Chemical Physics, 16 , 18383-18396 (2014) Links | BibTeX | Tags: publication @article{56d,
title = {Feasibility of occurrence of different types of protonated base pairs in RNA: a quantum chemical study},
author = {Abhijit mitra},
url = {https://pubs.rsc.org/en/content/articlelanding/2014/cp/c4cp02541e/unauth#!divAbstract},
year = {2014},
date = {2014-07-10},
journal = {Physical Chemistry Chemical Physics},
volume = {16},
pages = {18383-18396},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 175. | Molecular dynamics investigation of the active site dynamics of mycobacterial cyclopropane synthase during various stages of the cyclopropanation process Journal Article U. Deva Priyakumar Chinmayee Choudhury, U Deva Priyakumar, G Narahari Sastry Journal of structural biology, 187 , 38-48 (2014) Links | BibTeX | Tags: publication @article{22_41,
title = {Molecular dynamics investigation of the active site dynamics of mycobacterial cyclopropane synthase during various stages of the cyclopropanation process},
author = {U. Deva Priyakumar},
url = {https://www.sciencedirect.com/science/article/pii/S1047847714000938},
year = {2014},
date = {2014-07-01},
journal = {Journal of structural biology},
volume = {187},
pages = { 38-48},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 176. | Modulation of structural, energetic and electronic properties of DNA and size-expanded DNA bases upon binding to gold clusters Journal Article Harjinder Singh Sandhya Rai, Supriya Ranjan, Harjinder Singh, U Deva Priyakumar RSC advances, 4 , 9642-29651 (2014) Links | BibTeX | Tags: publication @article{23q,
title = {Modulation of structural, energetic and electronic properties of DNA and size-expanded DNA bases upon binding to gold clusters},
author = { Harjinder Singh},
url = {https://pubs.rsc.org/en/content/articlehtml/2014/ra/c4ra03753g},
year = {2014},
date = {2014-06-20},
journal = {RSC advances},
volume = {4},
pages = {9642-29651},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 177. | Why does substitution of thymine by 6-ethynylpyridone increase the thermostability of DNA double helices? Journal Article Abhijit Mitra Antarip Halder, Ayan Datta, Dhananjay Bhattacharyya, Abhijit Mitra The Journal of Physical Chemistry B, 118 , 6586–6596 (2014) Links | BibTeX | Tags: publication @article{23n,
title = {Why does substitution of thymine by 6-ethynylpyridone increase the thermostability of DNA double helices?},
author = { Abhijit Mitra},
url = {https://pubs.acs.org/doi/abs/10.1021/jp412416p},
year = {2014},
date = {2014-06-19},
journal = {The Journal of Physical Chemistry B},
volume = {118},
pages = {6586–6596},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 178. | Robustness of Chimera States in Non-locally Coupled Logistic Maps Journal Article Nita Parekh Pranneetha B , Nita Parekh Physical Review E, 98 , 377-389 (2014) BibTeX | Tags: publication @article{11u,
title = {Robustness of Chimera States in Non-locally Coupled Logistic Maps},
author = {Nita Parekh},
year = {2014},
date = {2014-06-10},
booktitle = {proceedings of The 7th CHAOS Conference },
journal = {Physical Review E},
volume = {98},
pages = {377-389},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 179. | Atomistic Investigation of the Effect of Incremental Modification of Deoxyribose Sugars by Locked Nucleic Acid (β-d-LNA and α-l-LNA) Moieties on the Structures … Journal Article U. Deva Priyakumar Gorle Suresh, U Deva Priyakumar The Journal of Physical Chemistry B, 118 , 5853–5863 (2014) Links | BibTeX | Tags: publication @article{23p,
title = {Atomistic Investigation of the Effect of Incremental Modification of Deoxyribose Sugars by Locked Nucleic Acid (β-d-LNA and α-l-LNA) Moieties on the Structures …},
author = {U. Deva Priyakumar},
url = {https://pubs.acs.org/doi/abs/10.1021/jp5014779},
year = {2014},
date = {2014-06-05},
journal = {The Journal of Physical Chemistry B},
volume = {118},
pages = {5853–5863},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 180. | Hidden Regularity and Universal Classification of Fast Side Chain Motions in Proteins Journal Article Marimuthu Krishnan Rajitha Rajeshwar T., Jeremy C. Smith, Marimuthu Krishnan Journal of the American Chemical Society, 136 , 8590–8605 (2014) Links | BibTeX | Tags: publication @article{1_44,
title = {Hidden Regularity and Universal Classification of Fast Side Chain Motions in Proteins},
author = {Marimuthu Krishnan},
url = {https://pubs.acs.org/doi/10.1021/ja5024783},
year = {2014},
date = {2014-05-20},
journal = {Journal of the American Chemical Society},
volume = {136},
pages = {8590–8605},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 181. | Two distinct promoter architectures centered on dynamic nucleosomes control ribosomal protein gene transcription. Journal Article Bhaswar Ghosh Knight B, Kubik S,Bhaswar Ghosh Genes & development , 28 (15), 1695-1709 (2014) Links | BibTeX | Tags: publication @article{1_93,
title = {Two distinct promoter architectures centered on dynamic nucleosomes control ribosomal protein gene transcription.},
author = {Bhaswar Ghosh},
url = {http://genesdev.cshlp.org/content/28/15/1695.abstract},
year = {2014},
date = {2014-04-28},
journal = {Genes & development },
volume = {28},
number = {15},
pages = { 1695-1709},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 182. | Density Functional Theory Based Study on Cis−Trans Isomerism of the Amide Bond in Homodimers of β2,3- and β3‑Substituted Homoproline Journal Article Harjinder Singh N. V. Suresh Kumar,Harjinder Singh physical chemistry, 118 (11), 2120-2137 (2014) Links | BibTeX | Tags: publication @article{23s,
title = {Density Functional Theory Based Study on Cis−Trans Isomerism of the Amide Bond in Homodimers of β2,3- and β3‑Substituted Homoproline},
author = {Harjinder Singh},
url = {https://pubmed.ncbi.nlm.nih.gov/24559065/},
year = {2014},
date = {2014-02-24},
journal = { physical chemistry},
volume = {118},
number = {11},
pages = {2120-2137},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 183. | Complexes of Natural / Size–expanded Base Pairs with Small Gold Clusters Journal Article Harjinder Singh Sandhya Rai,Harjinder Singh,U Deva Priyakumar Annual Conference of Indian Biophysical Society entitled "Molecular Architecture, Dynamics and Assembly in Living Systems", 5 , 735–739 (2014) Links | BibTeX | Tags: publication @article{56e,
title = {Complexes of Natural / Size–expanded Base Pairs with Small Gold Clusters},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/1220},
year = {2014},
date = {2014-02-07},
journal = {Annual Conference of Indian Biophysical Society entitled "Molecular Architecture, Dynamics and Assembly in Living Systems"},
volume = {5},
pages = {735–739},
address = {Annual Conference of Indian Biophysical Society entitled "Molecular Architecture, Dynamics and Assembly in Living Systems" (MADALS 2014 2014)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 184. | Complexes of Natural / Size–expanded Base Pairs with Small Gold Clusters Journal Article U. Deva Priyakumar Sandhya Rai,Harjinder Singh,U Deva Priyakumar Annual Conference of Indian Biophysical Society entitled "Molecular Architecture, Dynamics and Assembly in Living Systems", 5 , 735–739 (2014) Links | BibTeX | Tags: publication @article{56eb,
title = {Complexes of Natural / Size–expanded Base Pairs with Small Gold Clusters},
author = {U. Deva Priyakumar},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/1220},
year = {2014},
date = {2014-02-07},
journal = {Annual Conference of Indian Biophysical Society entitled "Molecular Architecture, Dynamics and Assembly in Living Systems"},
volume = {5},
pages = {735–739},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
2013
|
| 185. | Solvent‐Induced Helical Assembly and Reversible Chiroptical Switching of Chiral Cyclic‐Dipeptide‐Functionalized Naphthalenediimides Journal Article U. Deva Priyakumar Shivaprasad Manchineella, V Prathyusha, U Deva Priyakumar, T Govindaraju Chemistry–A European Journal, 19 , 16615-16624 (2013) Links | BibTeX | Tags: publication @article{1_47,
title = {Solvent‐Induced Helical Assembly and Reversible Chiroptical Switching of Chiral Cyclic‐Dipeptide‐Functionalized Naphthalenediimides},
author = { U. Deva Priyakumar},
url = {https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.201303123},
year = {2013},
date = {2013-12-02},
journal = {Chemistry–A European Journal},
volume = {19},
pages = {16615-16624},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 186. | Molecular dynamics simulations reveal the HIV-1 Vpu transmembrane protein to form stable pentamers Journal Article U. Deva Priyakumar Siladitya Padhi, Nabab Khan, Shahid Jameel, U Deva Priyakumar PloS one, 8 , e79779 (2013) Links | BibTeX | Tags: publication @article{22_43,
title = {Molecular dynamics simulations reveal the HIV-1 Vpu transmembrane protein to form stable pentamers},
author = { U. Deva Priyakumar},
url = {https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0079779},
year = {2013},
date = {2013-11-06},
journal = {PloS one},
volume = {8},
pages = {e79779},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 187. | Molecular Dynamics Modeling of CO2 and Poly(ethylene glycol) in Montmorillonite: The Structure of Clay–Polymer Composites and the Incorporation of CO2 Journal Article Marimuthu Krishnan Marimuthu Krishnan, Moumita Saharay, R James Kirkpatrick The Journal of Physical Chemistry C, 117 , 20592–20609 (2013) Links | BibTeX | Tags: publication @article{22_45,
title = {Molecular Dynamics Modeling of CO2 and Poly(ethylene glycol) in Montmorillonite: The Structure of Clay–Polymer Composites and the Incorporation of CO2},
author = {Marimuthu Krishnan},
url = {https://pubs.acs.org/doi/abs/10.1021/jp405321t},
year = {2013},
date = {2013-10-10},
journal = {The Journal of Physical Chemistry C},
volume = {117},
pages = {20592–20609},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 188. | Role of conformational properties on the transannular Diels–Alder reactivity of macrocyclic trienes with varying linker lengths Journal Article U. Deva Priyakumar V Prathyusha, U Deva Priyakumar RSC advances, 3 , 15892-15899 (2013) Links | BibTeX | Tags: publication @article{26e,
title = {Role of conformational properties on the transannular Diels–Alder reactivity of macrocyclic trienes with varying linker lengths},
author = { U. Deva Priyakumar},
url = {https://pubs.rsc.org/en/content/articlelanding/2013/ra/c3ra42045k/unauth#!divAbstract},
year = {2013},
date = {2013-06-25},
journal = {RSC advances},
volume = {3},
pages = {15892-15899},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 189. | Structures, Dynamics, and Stabilities of Fully Modified Locked Nucleic Acid (β-d-LNA and α-l-LNA) Duplexes in Comparison to Pure DNA and RNA Duplexes Journal Article U. Deva Priyakumar Gorle Suresh, U Deva Priyakumar The Journal of Physical Chemistry B, 117 , 5556–5564 (2013) Links | BibTeX | Tags: publication @article{59i,
title = {Structures, Dynamics, and Stabilities of Fully Modified Locked Nucleic Acid (β-d-LNA and α-l-LNA) Duplexes in Comparison to Pure DNA and RNA Duplexes},
author = { U. Deva Priyakumar},
url = {https://pubs.acs.org/doi/abs/10.1021/jp4016068},
year = {2013},
date = {2013-05-09},
journal = {The Journal of Physical Chemistry B},
volume = {117},
pages = {5556–5564},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 190. | Structure, energetics, and dynamics of smectite clay hydration: Molecular dynamics investigations of hectorite”(oral) Journal Article Marimuthu Krishnan Christin P Morrow, A Ozgur Yazaydin, Marimuthu Krishnan, Geoffrey M Bowers, Andrey G Kalinichev, R James Kirkpatrick Physical Chemistry C, 117 , 5172–5187 (2013) Links | BibTeX | Tags: publication @article{1_48,
title = {Structure, energetics, and dynamics of smectite clay hydration: Molecular dynamics investigations of hectorite”(oral)},
author = { Marimuthu Krishnan},
url = {https://pubs.acs.org/doi/abs/10.1021/jp312286g},
year = {2013},
date = {2013-04-07},
journal = {Physical Chemistry C},
volume = {117},
pages = {5172–5187},
address = {245th American Chemical Society National Meeting},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 191. | Computational modeling of mesoscale organic-inorganic composites: A molecular dynamics study of carbon dioxide sorption and retention by polyethylene glycol (PEG … Journal Article Marimuthu Krishnan Marimuthu Krishnan, Moumita Saharay, James R Kirkpatrick Abstracts Of Papers Of The American Chemical Society, 245 , 225-239 (2013) Links | BibTeX | Tags: publication @article{22_46,
title = {Computational modeling of mesoscale organic-inorganic composites: A molecular dynamics study of carbon dioxide sorption and retention by polyethylene glycol (PEG …},
author = {Marimuthu Krishnan},
url = {https://www.academia.edu/26424373/Computational_modeling_of_mesoscale_organic_inorganic_composites_A_molecular_dynamics_study_of_carbon_dioxide_sorption_and_retention_by_polyethylene_glycol_PEG_montmorillonite_composites},
year = {2013},
date = {2013-04-07},
journal = {Abstracts Of Papers Of The American Chemical Society},
volume = {245},
pages = {225-239},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 192. | Three entropic classes of side chain in a globular protein Journal Article Marimuthu Krishnan Dennis C. Glass, Marimuthu Krishnan, Jeremy C. Smith, and Jerome Baudry The Journal of Physical Chemistry B, 117 , 3127–3134 (2013) Links | BibTeX | Tags: publication @article{1_49,
title = {Three entropic classes of side chain in a globular protein},
author = { Marimuthu Krishnan},
url = {https://pubs.acs.org/doi/abs/10.1021/jp400564q},
year = {2013},
date = {2013-03-21},
journal = {The Journal of Physical Chemistry B},
volume = {117},
pages = { 3127–3134},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 193. | Structure, energetics, and dynamics of smectite clay interlayer hydration: Molecular dynamics and metadynamics investigation of Na-hectorite Journal Article Marimuthu Krishnan Christin P Morrow, A Özgür Yazaydin, Marimuthu Krishnan, Geoffrey M Bowers, Andrey G Kalinichev, R James Kirkpatrick The Journal of Physical Chemistry C, 10 , 5172–5187 (2013) Links | BibTeX | Tags: Publications @article{23v,
title = {Structure, energetics, and dynamics of smectite clay interlayer hydration: Molecular dynamics and metadynamics investigation of Na-hectorite},
author = { Marimuthu Krishnan},
url = {https://pubs.acs.org/doi/abs/10.1021/jp312286g},
year = {2013},
date = {2013-03-14},
journal = {The Journal of Physical Chemistry C},
volume = {10},
pages = {5172–5187},
keywords = {Publications},
pubstate = {published},
tppubtype = {article}
}
|
| 194. | Synthesis and Reactivity Studies of Dicationic Dihydrogen Complexes Bearing Sulfur‐Donor Ligands: A Combined Experimental and Computational Study Journal Article U. Deva Priyakumar Thirumanavelan Gandhi, Subramani Rajkumar, V Prathyusha, U Deva Priyakumar European Journal of Inorganic Chemistry, 2013 , 1434-1443 (2013) Links | BibTeX | Tags: publication @article{23t,
title = {Synthesis and Reactivity Studies of Dicationic Dihydrogen Complexes Bearing Sulfur‐Donor Ligands: A Combined Experimental and Computational Study},
author = { U. Deva Priyakumar},
url = {https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/ejic.201201022},
year = {2013},
date = {2013-03-12},
journal = {European Journal of Inorganic Chemistry},
volume = {2013},
pages = {1434-1443},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 195. | Structure, Dynamics and Stability of Pure and Chemically Modified Nucleic acids Studied via Molecular Dynamics Simulations Journal Article U. Deva Priyakumar G Suresh, U Deva Priyakumar Indo-German Meeting on Modeling Chemical and Biological (Re)Activity, 117 , 5556–5564 (2013) Links | BibTeX | Tags: publication @article{22_44,
title = {Structure, Dynamics and Stability of Pure and Chemically Modified Nucleic acids Studied via Molecular Dynamics Simulations},
author = {U. Deva Priyakumar},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/1083},
year = {2013},
date = {2013-02-21},
journal = {Indo-German Meeting on Modeling Chemical and Biological (Re)Activity},
volume = {117},
pages = {5556–5564},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 196. | Effect of post-transcriptional modifications on geometry and stability of base pairs and triplets in functional RNAs: A Quantum chemical study Journal Article Abhijit Mitra Purshotam Sharma, Dhananjay Bhattacharyya, Abhijit Mitra bioRxiv, 10 , 225-229 (2013) Links | BibTeX | Tags: publication @article{22_42,
title = {Effect of post-transcriptional modifications on geometry and stability of base pairs and triplets in functional RNAs: A Quantum chemical study},
author = { Abhijit Mitra},
url = {https://www.researchgate.net/publication/279748834_Effect_of_post-transcriptional_modifications_on_geometry_and_stability_of_base_pairs_and_triplets_in_functional_RNAs_A_Quantum_chemical_study},
year = {2013},
date = {2013-02-13},
journal = {bioRxiv},
volume = {10},
pages = {225-229},
address = { The 3rd Indo-German Conference on Modeling Chemical Biological Reactivity (MCBR3)At: NIPER, Mohali, India},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 197. | Structural Analysis of Charge Transfer Mechanism in Thioredoxin Glutathione Reductase Journal Article Abhijit Mitra Parshvika Sharma, Gopalakrishnan Bulusu, Abhijit Mitra Physical Chemistry Chemical Physics, 28-30 (2013) Links | BibTeX | Tags: publication @article{1_46,
title = {Structural Analysis of Charge Transfer Mechanism in Thioredoxin Glutathione Reductase},
author = {Abhijit Mitra},
url = {https://www.researchgate.net/profile/Abhijit_Mitra/publication/279748962_Structural_Analysis_of_the_Charge_Transfer_Mechanism_in_Glutaredoxin_and_Thioredoxin_O},
year = {2013},
date = {2013-02-06},
journal = {Physical Chemistry Chemical Physics},
pages = {28-30},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 198. | Correlating Capability of Non Local Hamiltonian Journal Article Harjinder Singh Sourav Chatterjee, S.K.Sazim,Indranil Chakrabarty,Harjinder Singh International Conference On Quantum Information And Quantum Computing, 225-265 (2013) Links | BibTeX | Tags: publication @article{59j,
title = {Correlating Capability of Non Local Hamiltonian},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/1068},
year = {2013},
date = {2013-01-07},
journal = {International Conference On Quantum Information And Quantum Computing},
pages = {225-265},
address = {INTERNATIONAL CONFERENCE ON QUANTUM INFORMATION AND QUANTUM COMPUTING (ICQIQC 2013)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
| 199. | Crenarchaeal chromatin proteins Cren7 and Sul7 compact DNA by inducing rigid bends Journal Article U. Deva Priyakumar Rosalie PC Driessen, He Meng, Gorle Suresh, Rajesh Shahapure, Giovanni Lanzani, U Deva Priyakumar, Malcolm F White, Helmut Schiessel, John Van Noort, Remus Th Dame Nucleic acids research, 41 , 196–205 (2013) Links | BibTeX | Tags: Publications @article{23u,
title = {Crenarchaeal chromatin proteins Cren7 and Sul7 compact DNA by inducing rigid bends},
author = { U. Deva Priyakumar},
url = {https://academic.oup.com/nar/article/41/1/196/1155384},
year = {2013},
date = {2013-01-01},
journal = {Nucleic acids research},
volume = {41},
pages = {196–205},
keywords = {Publications},
pubstate = {published},
tppubtype = {article}
}
|
2012
|
| 200. | Theoretical Insights into Cyclic Trimerization of 5-(Aminoethyl)-2-Furancarboxylic Acid (AEFC) and Anion Binding Properties Journal Article Harjinder Singh N. V. Suresh Kumar,Harjinder Singh Theoretical Chemistry Symposium , 115-120 (2012) Links | BibTeX | Tags: publication @article{26f,
title = {Theoretical Insights into Cyclic Trimerization of 5-(Aminoethyl)-2-Furancarboxylic Acid (AEFC) and Anion Binding Properties},
author = {Harjinder Singh},
url = {http://web2py.iiit.ac.in/research_centres/publications/view_publication/inproceedings/977},
year = {2012},
date = {2012-12-19},
journal = {Theoretical Chemistry Symposium },
pages = {115-120},
organization = {Theoretical Chemistry Symposium 2012 (TCS 2012 2012)},
keywords = {publication},
pubstate = {published},
tppubtype = {article}
}
|
