| Practical High-Quality Electrostatic Potential Surfaces for Drug Discovery Using a Graph-Convolutional Deep Neural Network PC Rathi, RF Ludlow, ML Verdonk Journal of medicinal chemistry, 2019 | 116 | 2019 |
| Constraint Network Analysis (CNA): A Python software package for efficiently linking biomacromolecular structure, flexibility,(thermo-) stability, and function C Pfleger, PC Rathi, DL Klein, S Radestock, H Gohlke Journal of chemical information and modeling 53 (4), 1007-1015, 2013 | 86 | 2013 |
| Structural Rigidity and Protein Thermostability in Variants of Lipase A from Bacillus subtilis. PC Rathi, KE Jaeger, H Gohlke PloS one 10 (7), e0130289, 2015 | 71 | 2015 |
| CNA web server: rigidity theory-based thermal unfolding simulations of proteins for linking structure,(thermo-) stability, and function DM Krüger, PC Rathi, C Pfleger, H Gohlke Nucleic acids research 41 (W1), W340-W348, 2013 | 66 | 2013 |
| Application of Rigidity Theory to the Thermostabilization of Lipase A from Bacillus subtilis PC Rathi, A Fulton, KE Jaeger, H Gohlke PLOS Comput Biol 12 (3), e1004754, 2016 | 52 | 2016 |
| Thermostabilizing mutations preferentially occur at structural weak spots with a high mutation ratio PC Rathi, S Radestock, H Gohlke Journal of biotechnology 159 (3), 135-144, 2012 | 47 | 2012 |
| Predicting “Hot” and “Warm” Spots for Fragment Binding PC Rathi, RF Ludlow, RJ Hall, CW Murray, PN Mortenson, ML Verdonk Journal of Medicinal Chemistry 60 (9), 4036-4046, 2017 | 36 | 2017 |
| Protein–Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven “Force Field” for Biomolecular Interactions ML Verdonk, RF Ludlow, I Giangreco, PC Rathi Journal of Medicinal Chemistry 59 (14), 6891-6902, 2016 | 24 | 2016 |
| Design and synthesis of novel Y-shaped barbituric acid derivatives as PPARγ activators VA Dixit, PC Rathi, S Bhagat, H Gohlke, RK Petersen, K Kristiansen, ... European journal of medicinal chemistry 108, 423-435, 2016 | 22 | 2016 |
| Intramolecular dihydrogen bond: A new perspective in Lewis acid catalyzed nucleophilic epoxide ring opening reaction VA Dixit, PC Rathi, PV Bharatam Journal of Molecular Structure: THEOCHEM 962 (1), 97-100, 2010 | 14 | 2010 |
| VisualCNA: a GUI for interactive constraint network analysis and protein engineering for improving thermostability PC Rathi, D Mulnaes, H Gohlke Bioinformatics 31 (14), 2394-2396, 2015 | 13 | 2015 |
| Quality matters: Extension of clusters of residues with good hydrophobic contacts stabilize (hyper) thermophilic proteins PC Rathi, HW Höffken, H Gohlke Journal of chemical information and modeling 54 (2), 355-361, 2014 | 12 | 2014 |
| Statics of Biomacromolecules PC Rathi, C Pfleger, S Fulle, DL Klein, H Gohlke Modeling of Molecular Properties, 281-299, 2011 | 7 | 2011 |
| Artificial intelligence for predicting molecular electrostatic potentials (ESPs): A step towards developing ESP-guided knowledge-based scoring functions M Verdonk, R Lewis, A Bender, P Rathi ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Development of computational approaches for knowledge-driven protein engineering aimed at improving thermostability PC Rathi | | 2015 |
| A NEW COMBINED DOCKING AND HYDROGEN ABSTRACTION ENERGY MODEL TO PREDICT SITE OF METABOLISM ON CYP2C9 SUBSTRATES PC Rathi, PP Nandekar, PV Bharatam MEDICINAL CHEMISTRY RESEARCH 19, S142-S142, 2010 | | 2010 |
| HOMOLOGY MODELING AND DOCKING STUDIES ON CYTOCHROME P450 2C19: PREDICTION OF SITE OF METABOLISM ON DRUGS PP Nandekar, PC Rathi, PV Bharatam MEDICINAL CHEMISTRY RESEARCH 19, S141-S141, 2010 | | 2010 |
| Identifying the determinants of thermostability: Extension of clusters of residues with good PC Rathi | | |
| Application of rigidity theory to the thermostabilization of proteins PC Rathi, A Fulton, KE Jaeger, H Gohlke Development of computational approaches for knowledge-driven protein …, 0 | | |
Vaibhav A. DixitVisiting Scientist, at Univ. of Manchester, UK and Asst. Prof., Department of Medicinal ChemistryVerified email at niperguwahati.in
