Edward Harder to Protein Binding
This is a "connection" page, showing publications Edward Harder has written about Protein Binding.
Connection Strength
0.454
-
A Method for Treating Significant Conformational Changes in Alchemical Free Energy Simulations of Protein-Ligand Binding. J Chem Theory Comput. 2024 Oct 08; 20(19):8609-8623.
Score: 0.180
-
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules. J Chem Theory Comput. 2019 Mar 12; 15(3):1863-1874.
Score: 0.122
-
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins. J Chem Theory Comput. 2016 Jan 12; 12(1):281-96.
Score: 0.097
-
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics. J Chem Inf Model. 2019 09 23; 59(9):3955-3967.
Score: 0.032
-
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. J Am Chem Soc. 2015 Feb 25; 137(7):2695-703.
Score: 0.023