Peter M. Kasson
Oak Ridge National Laboratory
1 paper in the Anchorcite directory, published in 2013, cited 7,748 times in total.
ORCID profileResearch topics
- Computational Drug Discovery Methods · 1 paper
- Protein Structure and Dynamics · 1 paper
- Machine Learning in Materials Science · 1 paper
Frequent co-authors
- Sander Pronk · 1 paper
- Szilárd Páll · 1 paper
- Roland Schulz · 1 paper
- Per Larsson · 1 paper
- Pär Bjelkmar · 1 paper
- Rossen Apostolov · 1 paper
- Michael R. Shirts · 1 paper
- Jeremy C. Smith · 1 paper
Papers
- GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkitBioinformatics · 2013 · 7,748 citations
MOTIVATION: Molecular simulation has historically been a low-throughput technique, but faster computers and increasing amounts of genomic and structural data are changing this by enabling large-scale automated simulation of, for instance, many conformers or mutants of biomolecules with or without…
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