David S. Cerutti

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

Edward Harder, Wolfgang Damm, Jon R. Maple et al. · Journal of Chemical Theory and Computation · 2015 · 3K citations

Drug Target, Drug Targeting, Drug-like Small Molecules +15

AmberTools

David A. Case, Hasan Metin Aktulga, Kellon Belfon et al. · Journal of Chemical Information and Modeling · 2023 · 1.5K citations · Full text

Molecular Diversity, Engineering, Newer Features +11

GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features

Tai‐Sung Lee, David S. Cerutti, Dan Mermelstein et al. · Journal of Chemical Information and Modeling · 2018 · 467 citations · Full text

Chemical Kinetics, Chemical Thermodynamics, Gpu-accelerated Molecular Dynamics +15

Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model

Karl T. Debiec, David S. Cerutti, Lewis R. Baker et al. · Journal of Chemical Theory and Computation · 2016 · 222 citations · Full text

Amber 2021: Reference Manual

David A. Case, Hasan Metin Aktulga, Kellon Belfon et al. · Open Repository and Bibliography (University of Luxembourg) · 2021 · 171 citations

Data Management, Amber 2021, Standardization +1