Vijay S. Pande
Stanford University
448 Papers
3.6K Citations
Vijay S. Pande is an academic researcher from Stanford University. The author has contributed to research in topics: Protein folding & Computer science. The author has an hindex of 104, co-authored 445 publications. Previous affiliations of Vijay S. Pande include Massachusetts Institute of Technology & Weizmann Institute of Science.
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Papers
Sequence coevolution between RNA and protein characterized by mutual information between residue triplets.
TL;DR: It is shown that residue triplets with high mutual information are more likely than residue doublets to be proximal in 3D space, suggesting that biophysical constraints on interacting RNA and protein chains are indeed a driving force in their evolution.
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Computationally Discovered Potentiating Role of Glycans on NMDA Receptors
Anton V. Sinitskiy,Nathaniel Stanley,David H. Hackos,Jesse E. Hanson,Benjamin D. Sellers,Vijay S. Pande +5 more
TL;DR: In this paper, the effects of glycosylation on the structure and dynamics of NMDARs are investigated using extensive molecular dynamics simulations of ligand binding domains (LBDs) to investigate these effects.
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Kinetic Computational Alanine Scanning: Application to p53 Oligomerization
TL;DR: A novel computational alanine scanning approach that involves analysis of ensemble unfolding kinetics at high temperature to identify residues that are critical for the stability of a given protein has reasonable success in identifying deleterious mutations.
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Tungstate as a Transition State Analog for Catalysis by Alkaline Phosphatase.
TL;DR: The results herein suggest that tungstate will be a valuable tool for further dissecting AP catalysis and may prove helpful in mechanistic studies of other phosphoryl transfer enzymes.
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Bayesian update method for adaptive weighted sampling.
TL;DR: An update scheme is developed within the framework of Bayesian inference in which the information from previous data is stored in a prior distribution which is then updated to a posterior distribution according to new data.
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