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
Polarizable atomic multipole X-ray refinement: application to peptide crystals.
Michael J. Schnieders,Timothy D. Fenn,Timothy D. Fenn,Vijay S. Pande,Axel T. Brunger,Axel T. Brunger +5 more
TL;DR: A method to accelerate the computation of structure factors from an electron density described by anisotropic and aspherical atomic form factors via fast Fourier transformation is described for the first time.
Polymer gels that can recognize and recover molecules
Toyoichi Tanaka,Changnan Wang,Vijay S. Pande,A. Yu Grosberg,Anthony E. English,Satoru Masamune,Harris Gold,Ronda Levy,Kathy King +8 more
TL;DR: In this article, the design and development of a polymer gel that can selectively absorb and release metal ions is investigated; the recovery of metal ions has a cooperative switching effect; a synthetic method for producing polymers that can thermodynamically memorize a conformation and selectively absorb a target molecule is proposed.
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Molecular simulation of multistate peptide dynamics: a comparison between microsecond timescale sampling and multiple shorter trajectories.
TL;DR: This report highlights the increased precision of the MS approach when studying the kinetics of complex conformational change, while revealing the complementary insight and qualitative agreement offered by far fewer individual simulations on significantly longer timescales.
Effects of Familial Mutations on the Monomer Structure of Aβ42
Yu-Shan Lin,Vijay S. Pande +1 more
TL;DR: This work characterize and contrast the consequences of four pathogenic mutations (Italian, Dutch, Arctic, and Iowa) for the structural ensemble of the Aβ monomer and finds four familial mutations are found to have distinct consequences for the monomer structure.
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N-Body simulation on GPUs
Erich Elsen,Mike Houston,V. Vishal,Eric Darve,Pat Hanrahan,Vijay S. Pande +5 more
- 11 Nov 2006
TL;DR: A highly optimized algorithm is developed for performing the O(N^2) force calculations that constitute the major part of stellar and molecular dynamics simulations in N-body simulations to obtain large improvements in performance over current generation CPUs.
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