Follow
Prakash Chandra Rathi
Prakash Chandra Rathi
AstraZeneca, Cambridge, UK
Verified email at astrazeneca.com
Title
Cited by
Cited by
Year
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
1342019
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
922013
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
772015
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
692013
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
532016
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
482012
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
362017
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
252016
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
252016
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
132015
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
132014
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
112010
Statics of Biomacromolecules
PC Rathi, C Pfleger, S Fulle, DL Klein, H Gohlke
Modeling of Molecular Properties, 281-299, 2011
72011
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
The system can't perform the operation now. Try again later.
Articles 1–19