Concepedia

A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics

Shweta Purawat, Pek U. Ieong, Robert D. Malmstrom, Garrett J. Chan, Alan K. Yeung, Ross C. Walker, İlkay Altıntaş, Rommie E. Amaro

Biophysical Journal · 2017 · 32 citations · 21 references

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R: A Language and Environment for Statistical Computing

R Core Team · 2000 · 352.8K citations · Full text

Scalable molecular dynamics with NAMD

J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.1K citations · Full text

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

Sander Pronk, Szilárd Páll, Roland Schulz et al. · Bioinformatics · 2013 · 7.4K citations · Full text

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

Daniel R. Roe, Thomas E. Cheatham · Journal of Chemical Theory and Computation · 2013 · 7.3K citations

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Surfing the p53 network

Bert Vogelstein, David P. Lane, Arnold J. Levine · Nature · 2000 · 6.6K citations

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