| A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA R Lavery, K Zakrzewska, D Beveridge, TC Bishop, DA Case, ... Nucleic acids research 38 (1), 299-313, 2010 | 348 | 2010 |
| The role of water in protein-DNA recognition B Jayaram, T Jain Annu. Rev. Biophys. Biomol. Struct. 33, 343-361, 2004 | 241 | 2004 |
| Sanjeevini: a freely accessible web-server for target directed lead molecule discovery B Jayaram, T Singh, G Mukherjee, A Mathur, S Shekhar, V Shekhar BMC bioinformatics 13, 1-13, 2012 | 215 | 2012 |
| μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA M Pasi, JH Maddocks, D Beveridge, TC Bishop, DA Case, T Cheatham III, ... Nucleic acids research 42 (19), 12272-12283, 2014 | 209 | 2014 |
| AADS - An Automated Active Site Identification, Docking, and Scoring Protocol for Protein Targets Based on Physicochemical Descriptors T Singh, D Biswas, B Jayaram Journal of chemical information and modeling 51 (10), 2515-2527, 2011 | 193 | 2011 |
| ParDOCK: an all atom energy based Monte Carlo docking protocol for protein-ligand complexes A Gupta, A Gandhimathi, P Sharma, B Jayaram Protein and peptide letters 14 (7), 632-646, 2007 | 157 | 2007 |
| A molecular thermodynamic view of DNA–drug interactions: a case study of 25 minor-groove binders SA Shaikh, SR Ahmed, B Jayaram Archives of biochemistry and biophysics 429 (1), 81-99, 2004 | 153 | 2004 |
| Inhibiting fungal multidrug resistance by disrupting an activator–Mediator interaction Nature 530 (7591), 485-489, 2016 | 147 | 2016 |
| Bhageerath: an energy based web enabled computer software suite for limiting the search space of tertiary structures of small globular proteins B Jayaram, K Bhushan, SR Shenoy, P Narang, S Bose, P Agrawal, ... Nucleic acids research 34 (21), 6195-6204, 2006 | 147 | 2006 |
| Inhibiting fungal multidrug resistance by disrupting an activator-mediator interaction Nature 530, 485-489, 0 | 147* | |
| A stoichiometry driven universal spatial organization of backbones of folded proteins: are there Chargaff's rules for protein folding? A Mittal, B Jayaram, S Shenoy, TS Bawa Journal of Biomolecular Structure and Dynamics 28 (2), 133-142, 2010 | 139 | 2010 |
| A phenomenological model for predicting melting temperatures of DNA sequences G Khandelwal, J Bhyravabhotla PloS one 5 (8), e12433, 2010 | 139 | 2010 |
| Proteins: sequence to structure and function-current status S R Shenoy, B Jayaram Current Protein and Peptide Science 11 (7), 498-514, 2010 | 138 | 2010 |
| An all atom energy based computational protocol for predicting binding affinities of protein–ligand complexes T Jain, B Jayaram FEBS letters 579 (29), 6659-6666, 2005 | 131 | 2005 |
| Free‐energy component analysis of 40 protein–DNA complexes: A consensus view on the thermodynamics of binding at the molecular level B Jayaram, K McConnell, SB Dixit, A Das, DL Beveridge Journal of computational chemistry 23 (1), 1-14, 2002 | 129 | 2002 |
| A computational pathway for bracketing native-like structures for small alpha helical globular proteins P Narang, K Bhushan, S Bose, B Jayaram Physical chemistry chemical physics 7 (11), 2364-2375, 2005 | 125 | 2005 |
| A plausible mechanism for the antimalarial activity of artemisinin: a computational approach A Shandilya, S Chacko, B Jayaram, I Ghosh Scientific reports 3 (1), 2513, 2013 | 122 | 2013 |
| Computational Studies of RNA and DNA J Šponer, F Lankaš Springer Science & Business Media, 2006 | 109 | 2006 |
| A Swift All-Atom Energy-Based Computational Protocol to Predict DNA−Ligand Binding Affinity and ΔTm SA Shaikh, B Jayaram Journal of medicinal chemistry 50 (9), 2240-2244, 2007 | 100 | 2007 |
| Computational protocol for predicting the binding affinities of zinc containing metalloprotein–ligand complexes T Jain, B Jayaram Proteins: Structure, Function, and Bioinformatics 67 (4), 1167-1178, 2007 | 93 | 2007 |
B. JayaramSupercomputing Facility for Bioinformatics & Computational Biology, IIT DelhiVerified email at chemistry.iitd.ac.in
