Jason Swails

1. OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
   2017/07/26 by Peter Eastman, Jason Swails, John D. Chodera +10 · 1 voice · 43 citations
   Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · #Advanced NMR Techniques and Applications #Protein Structure and Dynamics #Quantum, superfluid, helium dynamics
2. AmberTools
   2023/10/08 by David A. Case, Hasan Metin Aktulga, Kellon Belfon +44 · 55 citations
   Biochemistry, Genetics and Molecular Biology · Decision Sciences · #Metabolomics and Mass Spectrometry Studies #Protein Structure and Dynamics #Scientific Computing and Data Management
3. Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset
   2016/10/27 by Michael R. Shirts, Christoph Klein, Jason M. Swails +6 · 10 citations
   Chemistry · Physics and Astronomy · Environmental Science · #Mass Spectrometry Techniques and Applications #Nuclear Physics and Applications #Isotope Analysis in Ecology
4. OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
   2023/10/04 by Peter Eastman, Eastman, Peter, Raimondas Galvelis +44 · 18 citations
   Materials Science · Biochemistry, Genetics and Molecular Biology · Decision Sciences · #Machine Learning in Materials Science #Protein Structure and Dynamics #Scientific Computing and Data Management
5. OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
   2023/12/28 by Peter Eastman, Raimondas Galvelis, Raúl P. Peláez +22 · 1 voice · 16 citations
   Biochemistry, Genetics and Molecular Biology · Materials Science · #Enzyme Structure and Function #Machine Learning in Materials Science #Protein Structure and Dynamics