Publications

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334 entries « 5 of 7 »

2012

201.

Inter-versus intra-molecular cyclization of tripeptides containing tetrahydrofuran amino acids: a density functional theory study on kinetic control Journal Article

U. Deva Priyakumar

NV Suresh Kumar, U Deva Priyakumar, Harjinder Singh, Saumya Roy, Tushar Kanti Chakraborty

Journal of molecular modeling, 18 , 3181–3197 (2012)

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202.

Colloidal synthesis of noble metal nanoparticles of complex morphologies Journal Article

Tapan Kumar Sau

Tapan K Sau, Andrey L Rogach

Complex-shaped metal nanoparticles: Bottom-up syntheses and applications, 83 (2012)

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203.

Preferential heterochiral cyclic trimerization of 5-(aminoethyl)-2- furancarboxylic acid (AEFC) driven by non-covalent interactions Journal Article

Harjinder Singh

N. V. Suresh Kumar,Harjinder Singh, Kiran Kumar Pulukuri,Tushar K Chakraborty

Journal of Molecular Graphics and Modelling , 38 , 13-25 (2012)

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204.

Plasmonic properties of single multispiked gold nanostars: correlating modeling with experiments Journal Article

Tapan Kumar Sau

Lei Shao, Andrei S Susha, Lap Shan Cheung, Tapan K Sau, Andrey L Rogach, Jianfang Wang

Langmuir, 28 , 8979–8984 (2012)

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205.

Transannular Diels–Alder Reactivities of 14-Membered Macrocylic Trienes and Their Relationship with the Conformational Preferences of the Reactants: A Combined Quantum Chemical … Journal Article

U. Deva Priyakumar

V Prathyusha, S Ramakrishna, U Deva Priyakumar

The Journal of organic chemistry, 77 , 5371–5380 (2012)

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206.

Search for Protein Sequence Homologues that Display Considerable Domain Length Variations Journal Article

Abhijit Mitra

Eshita Mutt, Abhijit Mitra, R Sowdhamini

International Journal of Knowledge Discovery in Bioinformatics (IJKDB), 2 , 23 (2012)

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207.

Computational investigation of the effect of thermal perturbation on the mechanical unfolding of titin I27 Journal Article

U. Deva Priyakumar

Navneet Bung, U Deva Priyakumar

Journal of molecular modeling, 18 , 2823–2829 (2012)

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208.

Complex-shaped metal nanoparticles: bottom-up syntheses and applications Journal Article

Tapan Kumar Sau

Tapan Kumar Sau, Andrey L Rogach

JMTR, 57 , 7-90 (2012)

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209.

Reconstruction of protein side-chain conformational free energy surfaces from NMR-derived methyl axis order parameters Journal Article

Marimuthu Krishnan

Marimuthu Krishnan, Jeremy C Smith

The Journal of Physical Chemistry B, 116 , 4124–4133 (2012)

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210.

Structure and dynamics of biological systems: integration of neutron scattering with computer simulation Journal Article

Marimuthu Krishnan

Jeremy C Smith, Marimuthu Krishnan, Loukas Petridis, Nikolai Smolin

Dynamics of Soft Matter , 189-204 (2012)

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211.

Dynamical Networks: Analysis of their Underlying Topology PhD Thesis

Nita Parekh

Raina Arora and Nita Parekh

(2012).

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212.

Tools for RNA structural Informatics: BPFIND, INCAR and VASTERN Authors Journal Article

Abhijit Mitra

Sohini Bhattacharya, Ram Sagar Bangaru, Dhananjay Bhattacharyya, Abhijit Mitra

(2012)

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213.

Role of Hydrophobic Core on the Thermal Stability of Proteins—Molecular Dynamics Simulations on a Single Point Mutant of Sso7d Journal Article

U. Deva Priyakumar

U Deva priya Kumar

Journal of Biomolecular Structure and Dynamics, 29 , 961-971 (2012)

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214.

Switching Mechanism of Riboswitches–Molecular Level Insights from QM and MD Investigations Journal Article

Abhijit Mitra

Abhijit Mitra

552-559 (2012)

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215.

Surface enhanced Raman spectroscopy using shaped gold nanoparticles Journal Article

Tapan Kumar Sau

Catherine J Murphy, Tapan Kumar Sau, Christopher J Orendorff, Anand M Gole

(8129199), (2012)

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216.

Design of optimal laser pulses to control molecular rovibrational excitation in a heteronuclear diatomic molecule Journal Article

Harjinder Singh

Sitansh Sharma,Harjinder Singh

Journal of Chemical Science, 124 (1), 99-104 (2012)

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217.

Inter-Versus Intra-Molecular Cyclization Of Tripeptides Containing Tetrahydrofuran Amino Acids: A Density Functional Theory Study On Kinetic Control Journal Article

Harjinder Singh

N. V. Suresh Kumar, U. Deva Priyakumar, Harjinder Singh

Journal of Molecular Modeling, 18 , 3181–3197 (2012)

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2011

218.

Inter Nucleotide Contact Annotator in RNA (INCAR): A new approach to detect and analyze non covalent interactions in RNA Journal Article

Abhijit Mitra

Ram Sagar Bangaru, Sohini Bhattacharya, GK Bulusu, Abhijit Mitra

International Conference On" Nucleic Acids in Disease & Disorder, 2 (2011)

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219.

Mining protein sequence databases for remote homologues that can display considerable domain length variations Journal Article

Abhijit Mitra

Eshita Mutt, Abhijit Mitra, Ramanathan Sowdhamini

7 (2011)

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220.

Characterization of ERK docking domain inhibitors that induce apoptosis by targeting Rsk-1 and caspase-9 Journal Article

U. Deva Priyakumar

Sarice R Boston, Rahul Deshmukh, Scott Strome, U. Deva Priyakumar, Alexander D MacKerell, Paul Shapiro

BMC cancer, 11 , 7 (2011)

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221.

IGIPT-Integrated genomic island prediction tool Journal Article

Nita Parekh

Ruchi Jain, Sandeep Ramineni, Nita Parekh

Bioinformation, 7 , 307 (2011)

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222.

Aptamer-Ligand Interactions at the Ligand Binding Site of PreQ1 Riboswitch Journal Article

Abhijit Mitra

Preethi SP, Purshotam Sharma, Abhijit Mitra

9 (2011)

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223.

Laser pulse shaping for optimal control of multiphoton dissociation in a diatomic molecule using genetic algorithm optimization Journal Article

Harjinder Singh

Sitansh Sharma,Harjinder Singh

Journal of Chemical Physics, 360 (1), 68-74 (2011)

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224.

Method for manufacture of noble metal alloy catalysts and catalysts prepared therewith Patent

Tapan Kumar Sau

Dan V Goia, Marco Lopez, Tapan Kumar Sau, Mihaela-Ortansa Jitianu

8017548, (2011).

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225.

One‐step high‐yield aqueous synthesis of size‐tunable multispiked gold nanoparticles Journal Article

Tapan Kumar Sau

Tapan Kumar Sau, Andrey L Rogach, Markus Döblinger, Jochen Feldmann

Small, 7 , 2188-2194 (2011)

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226.

Surface enhanced raman spectroscopy using shaped gold nanoparticles Journal Article

Tapan Kumar Sau

Catherine J Murphy, Tapan Kumar Sau, Christopher J Orendorff, Anand M Gole

(13026946), (2011)

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227.

A theoretical study on interaction of proline with gold cluster Journal Article

Harjinder Singh

Sandhya Rai,N. V. Suresh Kumar,Harjinder Singh

Bulletin of Materials Science, (2011)

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228.

Analysis of centrality measures of airport network of india Journal Article

Nita Parekh

Manasi Sapre, Nita Parekh

Pattern Recognition and Machine Intelligence , 6744 , 376-381 (2011)

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229.

Integration of neutron scattering with computer simulation to study the structure and dynamics of biological systems Journal Article

Marimuthu Krishnan

J Smith, Marimuthu Krishnan, Loukas Petridis, Nikolai Smolin

Dynamics of Biological Macromolecules by Neutron Scattering, 99-108 (2011)

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230.

Protonation of base pairs in RNA: context analysis and quantum chemical investigations of their geometries and stabilities Journal Article

Abhijit Mitra

Mohit Chawla, Purshotam Sharma, Sukanya Halder, Dhananjay Bhattacharyya, Abhijit Mitra

The Journal of Physical Chemistry B, 115 , 1469–1484 (2011)

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231.

Selective excitation of individual plasmonic hotspots at the tips of single gold nanostars Journal Article

Tapan Kumar Sau

Calin Hrelescu, Tapan Kumar Sau, Andrey L Rogach, Frank Jäckel, Guillaume Laurent, Ludovic Douillard, Fabrice Charra

Nano letters, 11 , 402–407 (2011)

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232.

Construction and Analysis of Metabolic Network of Arabidopsis thaliana Pathways Journal Article

Nita Parekh

Kasthuribai Viswanathan and Nita Parekh

367-372 (2011)

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233.

Phenotypic heterogeneity in mycobacterial stringent response Journal Article

Bhaswar Ghosh

Sayantari Ghosh, Kamakshi Sureka, Bhaswar Ghosh, Indrani Bose

BMC Systems Biology , 5 , 18-32 (2011)

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234.

Construction and Analysis of Enzyme Centric Network of A. thaliana using Graph Theory Journal Article

Nita Parekh

Kasthuribai Viswanathan, Nita Parekh

SKAD’11–Soft Computing Applications and Knowledge Discovery, 125-134, (2011)

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2010

235.

Molecular simulations on the thermal stabilization of DNA by hyperthermophilic chromatin protein Sac7d, and associated conformational transitions Journal Article

U. Deva Priyakumar

U. Deva Priyakumar, G Harika, G Suresh

The journal of physical chemistry B, 114 , 16548–16557 (2010)

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236.

Interaction of Amino acids with gold clusters Journal Article

Harjinder Singh

Sandhya Rai,Harjinder Singh

Theoretical Chemistry Symposium, 30-45 (2010)

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237.

Stereochemical control in the structures of linear δ,α-hybrid tripeptides containing tetrahydrofuran amino acids Journal Article

Harjinder Singh

Tushar Kanti Chakraborty,N. V. Suresh Kumar,Saumya Roy,Sumit Kumar Dutta,A C Kunwar,B Sridhar,Harjinder Singh

Journal of Physical Organic Chemistry, 11 (2010)

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238.

Mechanistic insights from a quantitative analysis of pollen tube guidance Journal Article

Prabhakar Bhimalapuram

Shannon F Stewman, Matthew Jones-Rhoades, Prabhakar Bhimalapuram, Martin Tchernookov, Daphne Preuss, Aaron R Dinner

BMC plant biology, 10 , 32 (2010)

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239.

Label-free biosensing based on single gold nanostars as plasmonic transducers Journal Article

Tapan Kumar Sau

Srujan K Dondapati, Tapan Kumar Sau, Calin Hrelescu, Thomas A Klar, Fernando D Stefani, Jochen Feldmann

Acs Nano, 4 , 6318–6322 (2010)

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240.

Analysis of Airport Network of India Journal Article

Nita Parekh

Manasi Nita Sapre, Nita Parekh

Poster presentation at Grace Hopper Coneference in Computer Science, Bangalore, (2010)

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241.

Design of an infrared laser pulse to control the multiphoton dissociation of the Fe-CO bond in CO-heme compounds Journal Article

Harjinder Singh

Sitansh Sharma,Harjinder Singh,Jeremy N Harvey,Gabriel G Balint-Kurti

Chmeical Physics, 133 (17), 103-113 (2010)

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242.

Corrigendum to “Comparative modeling of thioredoxin glutathione reductase from Schistosoma mansoni: a multifunctional target for antischistosomial drug discovery”[J. Mol. Graph … Journal Article

Abhijit Mitra

Monika Sharma, Smriti Khanna, Gopalakrishnan Bulusu, Abhijit Mitra

Journal of Molecular Graphics and Modelling, 29 , 506 (2010)

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243.

Atomistic Details of the Ligand Discrimination Mechanism of SMK/SAM-III Riboswitch Journal Article

U. Deva Priyakumar

U. Deva Priyakumar

The Journal of Physical Chemistry B, 114 , 9920–9925 (2010)

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244.

Controlling Dynamical Networks Conference

Nita Parekh

Raina Arora, Nita Parekh

The 3rd Chaotic Modeling and Simulation International Conference (CHAOS2010) (2010).

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245.

Method for manufacture of noble metal alloy catalysts and catalysts prepared therewith Patent

Tapan Kumar Sau

Dan V Goia, Marco Lopez, Tapan Kumar Sau, Mihaela-Ortansa Jitianu

7713910, (2010).

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246.

On the role of Hoogsteen: Hoogsteen interactions in RNA: ab initio investigations of structures and energies Journal Article

Abhijit Mitra

Purshotam Sharma, Mohit Chawla, Sitansh Sharma, Abhijit Mitra

RNA, 16 , 942-957 (2010)

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247.

Model for how retrograde actin flow regulates adhesion traction stresses Journal Article

Prabhakar Bhimalapuram

Ying Li, Prabhakar Bhimalapuram, Aaron R Dinner

Journal of Physics: Condensed Matter, 22 , 194113 (2010)

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248.

Noble Metal Nanoparticles:(Adv. Mater. 16/2010) Journal Article

Tapan Kumar Sau

Tapan Kumar Sau, Andrey L Rogach

Advanced Materials, 22 , (2010)

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249.

Properties and applications of colloidal nonspherical noble metal nanoparticles Journal Article

Tapan Kumar Sau

Tapan Kumar Sau, Andrey L Rogach, Frank Jäckel, Thomas A Klar, Jochen Feldmann

Advanced Materials, 22 , 1805-1825 (2010)

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250.

Nonspherical noble metal nanoparticles: colloid‐chemical synthesis and morphology control Journal Article

Tapan Kumar Sau

Tapan Kuamr Sau, Andrey L Rogach

Advanced Materials, 22 , 1781-1804 (2010)

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334 entries « 5 of 7 »