Prakash Chandra Rathi
Prakash Chandra Rathi
Astex Pharmaceuticals, cambridge, UK
Verified email at astx.com
TitleCited byYear
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
442013
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
312012
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
302013
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
292015
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
202016
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
142017
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
102016
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
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
92016
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
92014
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
52015
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
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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