article Open AccessTop 1% cited
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
Bioinformatics · 2013 · Vol. 29(7) · pp. 845–854
Sander Pronk(KTH Royal Institute of Technology)Szilárd Páll(University of Tennessee at Knoxville)Roland Schulz(Stockholm University)Per Larsson(KTH Royal Institute of Technology)Pär Bjelkmar(Oak Ridge National Laboratory)Rossen Apostolov(University of Virginia)Michael R. Shirts(KTH Royal Institute of Technology)Jeremy C. Smith(KTH Royal Institute of Technology)Peter M. Kasson(KTH Royal Institute of Technology)David van der Spoel(KTH Royal Institute of Technology)Berk Hess(University of Tennessee at Knoxville)Erik Lindahl✉(Oak Ridge National Laboratory)
Abstract
Supplementary data are available at Bioinformatics online.
Protein Structure and DynamicsEnzyme Structure and FunctionMass Spectrometry Techniques and ApplicationsComputer scienceMassively parallelSoftwareThroughputComputational scienceMultithreadingParallel computingWorkstationCloud computingSupercomputer
MeSH terms
AlgorithmsProteinsSoftwareMolecular Dynamics Simulation
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