P
Peter M. Kasson
Researcher at University of Virginia
Publications - 99
Citations - 8563
Peter M. Kasson is an academic researcher from University of Virginia. The author has contributed to research in topics: Lipid bilayer fusion & Chemistry. The author has an hindex of 26, co-authored 89 publications receiving 7236 citations. Previous affiliations of Peter M. Kasson include Science for Life Laboratory & Uppsala University.
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Gromacs 4.5
Sander Pronk,Szilárd Páll,Szilárd Páll,Roland Schulz,Roland Schulz,Per Larsson,Pär Bjelkmar,Pär Bjelkmar,Rossen Apostolov,Rossen Apostolov,Michael R. Shirts,Jeremy C. Smith,Jeremy C. Smith,Peter M. Kasson,David van der Spoel,David van der Spoel,Berk Hess,Berk Hess,Erik Lindahl,Erik Lindahl,Erik Lindahl +20 more
TL;DR: A range of new simulation algorithms and features developed during the past 4 years are presented, leading up to the GROMACS 4.5 software package, which provides extremely high performance and cost efficiency for high-throughput as well as massively parallel simulations.
Journal ArticleDOI
Heterogeneity Even at the Speed Limit of Folding: Large-scale Molecular Dynamics Study of a Fast-folding Variant of the Villin Headpiece
TL;DR: Large-scale molecular dynamics simulations on a set of nine unfolded conformations of the fastest-folding protein yet discovered, a variant of the villin headpiece subdomain, reveal kinetic complexity not resolved in the experimental data.
Journal ArticleDOI
Ensemble molecular dynamics yields submillisecond kinetics and intermediates of membrane fusion
Peter M. Kasson,Nicholas W. Kelley,Nina Singhal,Marija Vrljic,Axel T. Brunger,Vijay S. Pande +5 more
TL;DR: This work uses an approach to the long time scale simulation of fusion by constructing a Markovian state model with large-scale distributed computing, yielding an understanding of fusion mechanisms on time scales previously impossible to simulate to the authors' knowledge.
Journal ArticleDOI
Formation of a Highly Peptide-Receptive State of Class II MHC
Joshua D. Rabinowitz,Marija Vrljic,Peter M. Kasson,Michael N. Liang,Robert Busch,J. Jay Boniface,Mark M. Davis,Harden M. McConnell +7 more
TL;DR: It is demonstrated that fast peptide binding is an inherent property of one isomer of empty class II MHC, with k(on) 1000-fold faster than previous estimates.
Gromacs User Manual Version 4.6
E. Apol,Rossen Apostolov,Herman J. C. Berendsen,A. van Buuren,Pär Bjelkmar,R. van Drunen,A. Feenstra,S. Fritsch,Gerrit Groenhof,Christoph Junghans,Peter M. Kasson,Per Larsson,P. Meulenhoff,Teemu Murtola,Szilárd Páll,Sander Pronk,Roland Schulz,Michael R. Shirts,A Sijbers,P. Tieleman,Berk Hess,D. van der Spoel,Erik Lindahl +22 more