Kyle A. Beauchamp

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

Peter Eastman, Jason Swails, John D. Chodera et al. · PLoS Computational Biology · 2017 · 2.6K citations · Full text

Engineering, Molecular Biology, Simulation +20

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

Robert T. McGibbon, Kyle A. Beauchamp, Matthew P. Harrigan et al. · Biophysical Journal · 2015 · 2.4K citations · Full text

Engineering, Modern Open Library, Computational Biology +8

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation

Peter Eastman, Mark S. Friedrichs, John D. Chodera et al. · Journal of Chemical Theory and Computation · 2012 · 744 citations

Engineering, Molecular Biology, Computer Architecture +22

Molecular Simulation of <i>ab Initio</i> Protein Folding for a Millisecond Folder NTL9(1−39)

Vincent A. Voelz, Gregory R. Bowman, Kyle A. Beauchamp et al. · Journal of the American Chemical Society · 2010 · 511 citations

MSMBuilder2: Modeling Conformational Dynamics on the Picosecond to Millisecond Scale

Kyle A. Beauchamp, Gregory R. Bowman, Thomas J. Lane et al. · Journal of Chemical Theory and Computation · 2011 · 408 citations · Full text

Conformational Dynamics, Biophysical Modeling, Engineering +21