Robert Abel

Comparison of multiple Amber force fields and development of improved protein backbone parameters

Viktor Horn̆ák, Robert Abel, Asim Okur et al. · Proteins Structure Function and Bioinformatics · 2006 · 7K citations · Full text

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

OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space

Chao Lü, Chuanjie Wu, Delaram Ghoreishi et al. · Journal of Chemical Theory and Computation · 2021 · 1.7K citations

Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field

Lingle Wang, Yujie Wu, Yuqing Deng et al. · Journal of the American Chemical Society · 2015 · 1.3K citations

Drug Target, Engineering, Computational Chemistry +26

OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules

Katarina Roos, Chuanjie Wu, Wolfgang Damm et al. · Journal of Chemical Theory and Computation · 2019 · 1.2K citations