Comparison of multiple Amber force fields and development of improved protein backbone parameters
Viktor Horn̆ák(Stony Brook University), Carlos Simmerling(Stony Brook University), Robert Abel(Schrodinger (United States)), Adrián E. Roitberg(University of Florida), Asim Okur(Stony Brook University), Bentley Strockbine(Stony Brook University)
Cited by 7,072
Related Papers
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
|Journal of Chemical Theory and Computation|2015|3.1k
ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution
|Journal of Chemical Theory and Computation|2019|2.3k
OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space
|Journal of Chemical Theory and Computation|2021|1.9k
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
|Journal of the American Chemical Society|2015|1.4k
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules
|Journal of Chemical Theory and Computation|2019|1.3k