Prakash Chandra Rathi

Practical High-Quality Electrostatic Potential Surfaces for Drug Discovery Using a Graph-Convolutional Deep Neural Network

Prakash Chandra Rathi, R. Frederick Ludlow, Marcel L. Verdonk · Journal of Medicinal Chemistry · 2019 · 153 citations · Full text

Natural Sciences, Bioinformatics, Medicinal Chemistry +17

Constraint Network Analysis (CNA): A Python Software Package for Efficiently Linking Biomacromolecular Structure, Flexibility, (Thermo-)Stability, and Function

Christopher Pfleger, Prakash Chandra Rathi, Doris L. Klein et al. · Journal of Chemical Information and Modeling · 2013 · 96 citations

Natural Sciences, Biochemistry, Biophysics +16

CNA web server: rigidity theory-based thermal unfolding simulations of proteins for linking structure, (thermo-)stability, and function

D. Krüger, Prakash Chandra Rathi, Christopher Pfleger et al. · Nucleic Acids Research · 2013 · 94 citations · Full text

Life Sciences, Biochemistry, Biophysics +17

Structural Rigidity and Protein Thermostability in Variants of Lipase A from Bacillus subtilis

Prakash Chandra Rathi, Karl‐Erich Jaeger, Holger Gohlke · PLoS ONE · 2015 · 78 citations · Full text

Life Sciences, Biochemistry, Biophysics +17

Application of Rigidity Theory to the Thermostabilization of Lipase A from Bacillus subtilis

Prakash Chandra Rathi, Alexander Fulton, Karl‐Erich Jaeger et al. · PLoS Computational Biology · 2016 · 51 citations · Full text

Life Sciences, Biochemistry, Bioengineering +17