Lee‐Ping Wang

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

Building Force Fields: An Automatic, Systematic, and Reproducible Approach

Lee‐Ping Wang, Todd J. Martı́nez, Vijay S. Pande · The Journal of Physical Chemistry Letters · 2014 · 614 citations · Full text

Engineering, Mechanical Engineering, Molecular Biology +21

Discovering chemistry with an ab initio nanoreactor

Lee‐Ping Wang, A.V. Titov, Robert T. McGibbon et al. · Nature Chemistry · 2014 · 441 citations · Full text

Ab Initio Nanoreactor, Nanoscale System, Engineering +8