Author

Michael K. Gilson

Primary ORCID profile (0000-0002-3375-1738 · 3 papers)Unclaimed ORCID profile · follow to get notified of new preprints

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Michael K. GilsoniD3 papers · University of California San Diego

Biology Disciplines

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Research Focus:benchmarking· 1 Approach:deep learning· 1 Approach:statistical model· 1

Frequent Co-Authors

Michael R. Shirts· 2 shared Andrea Rizzi· 1 shared Caitlin C. BannaniD· 1 shared Christoph Klein· 1 shared Christopher I. Bayly· 1 shared David A. Case· 1 shared David L. MobleyiD· 1 shared David L. Mobley· 1 shared

Activity by Year

2016-2018 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 25 mutual co-author links

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2 shared papersBiophysics

Michael R. Shirts

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Author profile →

2 papers

Recent·Most cited

Open Force Field Consortium: Escaping atom types using direct chemical perception with SMIRNOFF v0.1

David L. Mobley, Caitlin C. Bannan, Andrea Rizzi, Christopher I. Bayly, John D. Chodera, Victoria T. Lim, Nathan M. Lim, Kyle. A. Beauchamp, Michael R. Shirts, Michael K. Gilson, Peter K. Eastman

The paper introduces a new approach to molecular mechanics force fields using direct chemical perception, reducing parameter count while maintaining accuracy.

bioRxiv · Jul 13, 2018 · PreprintBiophysics

Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset

Michael R. Shirts, Christoph Klein, Jason M. Swails, Jian Yin, Michael K. Gilson, David L. Mobley, David A. Case, Ellen D. Zhong

The paper compares molecular dynamics engines on the SAMPL5 dataset, finding high agreement in energy calculations but highlighting discrepancies due to Coulomb constant choices.

bioRxiv · Sep 25, 2016Biophysics