Peter M. Kasson

Publication Activity (10 Years)

Years Active: 2003-2022
Publications (10 Years): 5

Top Topics

Drug Resistance

Mutual Information

Molecular Dynamics Simulations

Highly Parallel

Top Venues

PLoS Comput. Biol.

Pacific Symposium on Biocomputing

Publications

M. Eric Irrgang, Caroline Davis, Peter M. Kasson
gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin support. PLoS Comput. Biol. 18 (2) (2022)
Vivek Balasubramanian, Travis Jensen, Matteo Turilli, Peter M. Kasson, Michael R. Shirts, Shantenu Jha
Adaptive Ensemble Biomolecular Applications at Scale. SN Comput. Sci. 1 (2) (2020)
Vivek Balasubramanian, Travis Jensen, Matteo Turilli, Peter M. Kasson, Michael R. Shirts, Shantenu Jha
Implementing Adaptive Ensemble Biomolecular Applications at Scale. CoRR (2018)
M. Eric Irrgang, Jennifer M. Hays, Peter M. Kasson
gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations. Bioinform. 34 (22) (2018)
George A. Cortina, Peter M. Kasson
Excess positional mutual information predicts both local and allosteric mutations affecting beta lactamase drug resistance. Bioinform. 32 (22) (2016)
Sander Pronk, Szilárd Páll, Roland Schulz, Per Larsson, Pär Bjelkmar, Rossen Apostolov, Michael R. Shirts, Jeremy C. Smith, Peter M. Kasson, David van der Spoel, Berk Hess, Erik Lindahl
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit. Bioinform. 29 (7) (2013)
Per Larsson, Peter M. Kasson
Lipid Tail Protrusion in Simulations Predicts Fusogenic Activity of Influenza Fusion Peptide Mutants and Conformational Models. PLoS Comput. Biol. 9 (3) (2013)
Peter M. Kasson
Computational Biology in the Cloud: Methods and New Insights from Computing at Scale. Pacific Symposium on Biocomputing (2013)
Sander Pronk, Per Larsson, Iman Pouya, Gregory R. Bowman, Imran S. Haque, Kyle Beauchamp, Berk Hess, Vijay S. Pande, Peter M. Kasson, Erik Lindahl
Copernicus: a new paradigm for parallel adaptive molecular dynamics. SC (2011)
Peter M. Kasson, Erik Lindahl, Vijay S. Pande
Atomic-Resolution Simulations Predict a Transition State for Vesicle Fusion Defined by Contact of a Few Lipid Tails. PLoS Comput. Biol. 6 (6) (2010)
Peter M. Kasson, Vijay S. Pande
Cross-Graining: Efficient Multi-Scale Simulation via Markov State Models. Pacific Symposium on Biocomputing (2010)
Peter M. Kasson, Vijay S. Pande
Combining Mutual Information with Structural Analysis to Screen for Functionally Important Residues in Influenza Hemagglutinin. Pacific Symposium on Biocomputing (2009)
Peter M. Kasson, Vijay S. Pande
Predicting Structure and Dynamics of Loosely-Ordered Protein Complexes: Influenza Hemagglutinin Fusion Peptide. Pacific Symposium on Biocomputing (2007)
Peter M. Kasson, Vijay S. Pande
Control of Membrane Fusion Mechanism by Lipid Composition: Predictions from Ensemble Molecular Dynamics. PLoS Comput. Biol. 3 (11) (2007)
Peter M. Kasson, Afra Zomorodian, Sanghyun Park, Nina Singhal, Leonidas J. Guibas, Vijay S. Pande
Persistent voids: a new structural metric for membrane fusion. Bioinform. 23 (14) (2007)
Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger
A hybrid machine-learning approach for segmentation of protein localization data. Bioinform. 21 (19) (2005)
Peter M. Kasson, Mark M. Davis, Axel T. Brünger
Deformable Modeling for Improved Calculation of Molecular Velocities from Single-Particle Tracking. CSB (2005)
Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger
Quantitative Analysis of Membrane Protein Localization and Signaling. CSB (2004)
Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger
Quantitative analysis of lymphocyte membrane protein redistribution from fluorescence microscopy. ICIP (2004)
Peter M. Kasson, Vijay S. Pande
Computational Simulation of Lipid Bilayer Reorientation at Gaps. CSB (2003)