Koushik Kasavajhala

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

James Maier, Carmenza Martinez, Koushik Kasavajhala et al. · Journal of Chemical Theory and Computation · 2015 · 11.1K citations

Natural Sciences, Biochemistry, Biophysics +17

ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution

Chuan Tian, Koushik Kasavajhala, Kellon Belfon et al. · Journal of Chemical Theory and Computation · 2019 · 2.4K citations · Full text

Natural Sciences, Biochemistry, Biophysics +15

AmberTools

David A. Case, Hasan Metin Aktulga, Kellon Belfon et al. · Journal of Chemical Information and Modeling · 2023 · 1.9K citations · Full text

Natural Sciences, Bioinformatics, Biophysics +15

Amber 2021: Reference Manual

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

Natural Sciences, Chemistry, Safety Engineering +1

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

Yuqi Zhang, Márton Vass, Da Shi et al. · Journal of Chemical Information and Modeling · 2023 · 114 citations

Life Sciences, Bioinformatics, Medicinal Chemistry +17