Peter M. Kasson

21 papers A 1B 1Misc 4Journal 12Unranked 3
YearRankTypeTitle / Venue / Authors
2025 J jnl
Structural prediction of chimeric immunogen candidates to elicit targeted antibodies against betacoronaviruses.
PLoS Comput. Biol.
Jamel Simpson, Peter M. Kasson
2022 J jnl
gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin support.
PLoS Comput. Biol.
M. Eric Irrgang, Caroline Davis, Peter M. Kasson
2020 J jnl
Adaptive Ensemble Biomolecular Applications at Scale.
SN Comput. Sci.
Vivek Balasubramanian, Travis Jensen, Matteo Turilli, Peter M. Kasson, Michael R. Shirts, Shantenu Jha
2018 J jnl
Implementing Adaptive Ensemble Biomolecular Applications at Scale.
CoRR
Vivek Balasubramanian, Travis Jensen, Matteo Turilli, Peter M. Kasson, Michael R. Shirts, Shantenu Jha
2018 J jnl
gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations.
Bioinform.
M. Eric Irrgang, Jennifer M. Hays, Peter M. Kasson
2016 J jnl
Excess positional mutual information predicts both local and allosteric mutations affecting beta lactamase drug resistance.
Bioinform.
George A. Cortina, Peter M. Kasson
2013 Misc conf
Computational Biology in the Cloud: Methods and New Insights from Computing at Scale.
Pacific Symposium on Biocomputing
Peter M. Kasson
2013 J jnl
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.
Bioinform.
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
2013 J jnl
Lipid Tail Protrusion in Simulations Predicts Fusogenic Activity of Influenza Fusion Peptide Mutants and Conformational Models.
PLoS Comput. Biol.
Per Larsson, Peter M. Kasson
2011 A conf
Copernicus: a new paradigm for parallel adaptive molecular dynamics.
SC
Sander Pronk, Per Larsson, Iman Pouya, Gregory R. Bowman, Imran S. Haque, Kyle Beauchamp, Berk Hess, Vijay S. Pande, Peter M. Kasson, Erik Lindahl
2010 J jnl
Atomic-Resolution Simulations Predict a Transition State for Vesicle Fusion Defined by Contact of a Few Lipid Tails.
PLoS Comput. Biol.
Peter M. Kasson, Erik Lindahl, Vijay S. Pande
2010 Misc conf
Cross-Graining: Efficient Multi-Scale Simulation via Markov State Models.
Pacific Symposium on Biocomputing
Peter M. Kasson, Vijay S. Pande
2009 Misc conf
Combining Mutual Information with Structural Analysis to Screen for Functionally Important Residues in Influenza Hemagglutinin.
Pacific Symposium on Biocomputing
Peter M. Kasson, Vijay S. Pande
2007 J jnl
Control of Membrane Fusion Mechanism by Lipid Composition: Predictions from Ensemble Molecular Dynamics.
PLoS Comput. Biol.
Peter M. Kasson, Vijay S. Pande
2007 J jnl
Persistent voids: a new structural metric for membrane fusion.
Bioinform.
Peter M. Kasson, Afra Zomorodian, Sanghyun Park, Nina Singhal, Leonidas J. Guibas, Vijay S. Pande
2007 Misc conf
Predicting Structure and Dynamics of Loosely-Ordered Protein Complexes: Influenza Hemagglutinin Fusion Peptide.
Pacific Symposium on Biocomputing
Peter M. Kasson, Vijay S. Pande
2005 J jnl
A hybrid machine-learning approach for segmentation of protein localization data.
Bioinform.
Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger
2005 — conf
Deformable Modeling for Improved Calculation of Molecular Velocities from Single-Particle Tracking.
CSB
Peter M. Kasson, Mark M. Davis, Axel T. Brünger
2004 — conf
Quantitative Analysis of Membrane Protein Localization and Signaling.
CSB
Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger
2004 B conf
Quantitative analysis of lymphocyte membrane protein redistribution from fluorescence microscopy.
ICIP
Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger
2003 — conf
Computational Simulation of Lipid Bilayer Reorientation at Gaps.
CSB
Peter M. Kasson, Vijay S. Pande