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ORCIDPeter M. Kasson
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2020 – today
- 2022
[j10]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)- 2020
- [j9]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): 104 (2020)
2010 – 2019
- 2018
- [j8]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): 3945-3947 (2018) - [i1]Vivek Balasubramanian, Travis Jensen, Matteo Turilli, Peter M. Kasson, Michael R. Shirts, Shantenu Jha:
Implementing Adaptive Ensemble Biomolecular Applications at Scale. CoRR abs/1804.04736 (2018) - 2016
- [j7]George A. Cortina, Peter M. Kasson:
Excess positional mutual information predicts both local and allosteric mutations affecting beta lactamase drug resistance. Bioinform. 32(22): 3420-3427 (2016) - 2013
- [j6]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): 845-854 (2013) - [j5]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) - [c9]Peter M. Kasson:
Computational Biology in the Cloud: Methods and New Insights from Computing at Scale. Pacific Symposium on Biocomputing 2013: 451-453 - 2011
- [c8]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: 60:1-60:10 - 2010
- [j4]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) - [c7]Peter M. Kasson, Vijay S. Pande:
Cross-Graining: Efficient Multi-Scale Simulation via Markov State Models. Pacific Symposium on Biocomputing 2010: 260-268
2000 – 2009
- 2009
- [c6]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: 492-503 - 2007
- [j3]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): 1753-1759 (2007) - [j2]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) - [c5]Peter M. Kasson, Vijay S. Pande:
Predicting Structure and Dynamics of Loosely-Ordered Protein Complexes: Influenza Hemagglutinin Fusion Peptide. Pacific Symposium on Biocomputing 2007: 40-50 - 2005
- [j1]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): 3778-3786 (2005) - [c4]Peter M. Kasson, Mark M. Davis, Axel T. Brünger:
Deformable Modeling for Improved Calculation of Molecular Velocities from Single-Particle Tracking. CSB 2005: 208-211 - 2004
- [c3]Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger:
Quantitative Analysis of Membrane Protein Localization and Signaling. CSB 2004: 540-541 - [c2]Peter M. Kasson, Johannes B. Huppa, Mark M. Davis, Axel T. Brünger:
Quantitative analysis of lymphocyte membrane protein redistribution from fluorescence microscopy. ICIP 2004: 2933-2936 - 2003
- [c1]Peter M. Kasson, Vijay S. Pande:
Computational Simulation of Lipid Bilayer Reorientation at Gaps. CSB 2003: 464-467
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