Category: Papers

P. M. Kasson, A. Zomorodian, S. Park, N. Singhal, L. J. Guibas, and V. S. Pande. Bioinformatics (2007) SUMMARY: One challenge in analyzing membrane fusion pathways is simply characterizing the…

D. Lucent, V. Vishal, V. S. Pande. Proceedings of the National Academy of Sciences (2007) Local PDF SUMMARY: When proteins fold inside a cell, they are frequently subjected to various…

J. Chodera, N. Singhal, V. S. Pande, K. Dill, and W. Swope. Journal of Chemical Physics, (2007) SUMMARY: In order to break up calculations to run on Folding@home and then…

Adam L Beberg and Vijay S. Pande. IPDPS (2007) SUMMARY: Storage@home is a distributed storage infrastructure developed to solve the problem of backing up and sharing petabytes of scientific results…

Erich Elsen, Mike Houston, V. Vishal, Eric Darve, Pat Hanrahan, and Vijay Pande. Proceedings of the 2006 ACM/IEEE conference on Supercomputing (2006). SUMMARY. This paper details our first efforts with…

P. Kasson and V. S. Pande. PSB, (2006) SUMMARY: We have been applying Folding@home to study the nature of key proteins involved in how flu (the influenza virus) gains access…

S. Park and V. S. Pande. Physical Review E (2006) SUMMARY: We’ve developed a new way to do a particular type of calculation (for protein thermodynamics) on Folding@home. This paper…

Guha Jayachandran, V. Vishal, Angel E. Garcıa and V. S. Pande. Journal of Structural Biology, (2006) Local PDF ABSTRACT: Massively parallel all-atom, explicit solvent molecular dynamics simulations were used to…

C. Snow and V. S. Pande. Biophysical Journal, (2006) ABSTRACT: Using distributed molecular dynamics simulations we located 4 distinct folding transitions for a 39 residue beta-beta-alpha-beta protein fold. We introduce…

Guha Jayachandran, M. R. Shirts, S. Park, and V. S. Pande. Journal of Chemical Physics, (2006) ABSTRACT: We present a technique for biomolecular free energy calculations that exploits highly parallelized…