Christoph Klein

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

Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset

Michael R. Shirts, Christoph Klein, Jason Swails et al. · Journal of Computer-Aided Molecular Design · 2016 · 365 citations · Full text

Engineering, Molecular Property, Computational Biology +12

Development of a Surface Acoustic Wave Immunosensor

W. Welsch, Christoph Klein, M. von Schickfus et al. · Analytical Chemistry · 1996 · 81 citations

Tunable transition from hydration to monomer-supported lubrication in zwitterionic monolayers revealed by molecular dynamics simulation

Christoph Klein, Christopher R. Iacovella, Clare McCabe et al. · Soft Matter · 2015 · 26 citations · Full text