Peter M. Kasson

发表

Refinement of highly flexible protein structures using simulation-guided spectroscopy

Jennifer M. Hays, Marissa Kieber, Jason Z. Li, 2018, bioRxiv.

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

Peter M. Kasson, Vijay S. Pande, V. Pande, 2010, Pacific Symposium on Biocomputing.

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

Peter M. Kasson, George A. Cortina, G. A. Cortina, 2016, Bioinform..

Inference of joint conformational distributions from separately-acquired experimental measurements.

Jennifer M. Hays, Peter M. Kasson, Emily Boland, 2020 .

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

Peter M. Kasson, Vijay S. Pande, Erik Lindahl, 2010, PLoS Comput. Biol..

BIOINFORMATICS ORIGINAL PAPER doi:10.1093/bioinformatics/btm250 Structural bioinformatics Persistent voids: a new structural metric for membrane fusion

Leonidas J. Guibas, Afra Zomorodian, Peter M. Kasson, 2022 .

High-level software frameworks to surmount the challenge of 100x scaling for biomolecular simulation science

Shantenu Jha, Peter M. Kasson, S. Jha, 2015 .

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

Peter M. Kasson, Mark M. Davis, Mark M. Davis, 2005, Bioinform..

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

Peter M. Kasson, Vijay S. Pande, V. Pande, 2007, PLoS Comput. Biol..

Quantitative analysis of membrane protein localization and signaling

Peter M. Kasson, Mark M. Davis, Johannes B. Huppa, 2004, Proceedings. 2004 IEEE Computational Systems Bioinformatics Conference, 2004. CSB 2004..

Gromacs User Manual Version 4.6

Peter M. Kasson, D. van der Spoel, Gerrit Groenhof, 2013 .

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

Jennifer M. Hays, Peter M. Kasson, M. Eric Irrgang, 2018, bioRxiv.

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

Peter M. Kasson, Per Larsson, Per Larsson, 2013, PLoS Comput. Biol..

Adaptive Ensemble Biomolecular Applications at Scale

Shantenu Jha, Peter M. Kasson, Matteo Turilli, 2018, SN Computer Science.

Implementing Adaptive Ensemble Biomolecular Applications at Scale pdf

Shantenu Jha, Peter M. Kasson, Matteo Turilli, 2018, ArXiv.

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

Peter M. Kasson, Vijay S. Pande, V. Pande, 2006, Pacific Symposium on Biocomputing.

Computational simulation of lipid bilayer reorientation at gaps

Peter M. Kasson, Vijay S. Pande, V. Pande, 2003, Computational Systems Bioinformatics. CSB2003. Proceedings of the 2003 IEEE Bioinformatics Conference. CSB2003.

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

Peter M. Kasson, Jeremy C. Smith, Roland Schulz, 2013, Bioinform..

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

Peter M. Kasson, Vijay S. Pande, V. Pande, 2008, Pacific Symposium on Biocomputing.

Deformable modeling for improved calculation of molecular velocities from single-particle tracking

Peter M. Kasson, Mark M. Davis, Mark M. Davis, 2005, 2005 IEEE Computational Systems Bioinformatics Conference (CSB'05).

Copernicus: A new paradigm for parallel adaptive molecular dynamics

Peter M. Kasson, Vijay S. Pande, Berk Hess, 2011, 2011 International Conference for High Performance Computing, Networking, Storage and Analysis (SC).

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

Jennifer M. Hays, Peter M. Kasson, M. Eric Irrgang, 2018 .

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

Peter M. Kasson, P. Kasson, 2012, Pacific Symposium on Biocomputing.

Quantitative analysis of lymphocyte membrane protein redistribution from fluorescence microscopy

Peter M. Kasson, Mark M. Davis, Mark M. Davis, 2004, 2004 International Conference on Image Processing, 2004. ICIP '04..

Ensemble molecular dynamics yields submillisecond kinetics and intermediates of membrane fusion

Peter M. Kasson, Vijay S. Pande, Nina Singhal, 2006, Proceedings of the National Academy of Sciences.

Dynamic heterogeneity controls diffusion and viscosity near biological interfaces

Peter M. Kasson, Erik Lindahl, E. Lindahl, 2014, Nature Communications.