Prakash Chandra Rathi
Prakash Chandra Rathi
AstraZeneca, Cambridge, UK
Verified email at astrazeneca.com
Title
Cited by
Cited by
Year
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
482013
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
392015
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
322013
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
322012
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
272016
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
182017
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
142016
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
112016
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
102014
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
102010
Statics of Biomacromolecules
PC Rathi, C Pfleger, S Fulle, DL Klein, H Gohlke
Modeling of Molecular Properties, 281-299, 2011
72011
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
62015
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
22019
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
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Articles 1–19