Peter M. Kasson

According to our database, Peter M. Kasson authored at least 20 papers between 2003 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2022

gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin support.

M. Eric Irrgang, Caroline Davis, Peter M. Kasson

PLoS Comput. Biol., 2022

2020

Adaptive Ensemble Biomolecular Applications at Scale.

Vivek Balasubramanian, Travis Jensen, Matteo Turilli, Peter M. Kasson, Michael R. Shirts, Shantenu Jha

SN Comput. Sci., 2020

2018

Implementing Adaptive Ensemble Biomolecular Applications at Scale.

Vivek Balasubramanian, Travis Jensen, Matteo Turilli, Peter M. Kasson, Michael R. Shirts, Shantenu Jha

CoRR, 2018

gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations.

M. Eric Irrgang, Jennifer M. Hays, Peter M. Kasson

Bioinform., 2018

2016

Excess positional mutual information predicts both local and allosteric mutations affecting beta lactamase drug resistance.

George A. Cortina, Peter M. Kasson

Bioinform., 2016

2013

Lipid Tail Protrusion in Simulations Predicts Fusogenic Activity of Influenza Fusion Peptide Mutants and Conformational Models.

Per Larsson, Peter M. Kasson

PLoS Comput. Biol., 2013

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.

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

Bioinform., 2013

Computational Biology in the Cloud: Methods and New Insights from Computing at Scale.

Peter M. Kasson

Proceedings of the Biocomputing 2013: Proceedings of the Pacific Symposium, 2013

2011

Copernicus: a new paradigm for parallel adaptive molecular dynamics.

Sander Pronk, Per Larsson, Iman Pouya, Gregory R. Bowman, Imran S. Haque, Kyle Beauchamp, Berk Hess, Vijay S. Pande, Peter M. Kasson, Erik Lindahl

Proceedings of the Conference on High Performance Computing Networking, 2011

2010

Atomic-Resolution Simulations Predict a Transition State for Vesicle Fusion Defined by Contact of a Few Lipid Tails.

Peter M. Kasson, Erik Lindahl, Vijay S. Pande

PLoS Comput. Biol., 2010

Cross-Graining: Efficient Multi-Scale Simulation via Markov State Models.

Peter M. Kasson, Vijay S. Pande

Proceedings of the Biocomputing 2010: Proceedings of the Pacific Symposium, 2010

2009

Combining Mutual Information with Structural Analysis to Screen for Functionally Important Residues in Influenza Hemagglutinin.

Peter M. Kasson, Vijay S. Pande

Proceedings of the Biocomputing 2009: Proceedings of the Pacific Symposium, 2009

2007

Control of Membrane Fusion Mechanism by Lipid Composition: Predictions from Ensemble Molecular Dynamics.

Peter M. Kasson, Vijay S. Pande

PLoS Comput. Biol., 2007

Persistent voids: a new structural metric for membrane fusion.

Peter M. Kasson, Afra Zomorodian, Sanghyun Park, Nina Singhal, Leonidas J. Guibas, Vijay S. Pande

Bioinform., 2007

Predicting Structure and Dynamics of Loosely-Ordered Protein Complexes: Influenza Hemagglutinin Fusion Peptide.

Peter M. Kasson, Vijay S. Pande

Proceedings of the Biocomputing 2007, 2007

2005

A hybrid machine-learning approach for segmentation of protein localization data.

Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger

Bioinform., 2005

Deformable Modeling for Improved Calculation of Molecular Velocities from Single-Particle Tracking.

Peter M. Kasson, Mark M. Davis, Axel T. Brünger

Proceedings of the Fourth International IEEE Computer Society Computational Systems Bioinformatics Conference, 2005

2004

Quantitative analysis of lymphocyte membrane protein redistribution from fluorescence microscopy.

Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger

Proceedings of the 2004 International Conference on Image Processing, 2004

Quantitative Analysis of Membrane Protein Localization and Signaling.

Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger

Proceedings of the 3rd International IEEE Computer Society Computational Systems Bioinformatics Conference, 2004

2003

Computational Simulation of Lipid Bilayer Reorientation at Gaps.

Peter M. Kasson, Vijay S. Pande

Proceedings of the 2nd IEEE Computer Society Bioinformatics Conference, 2003