Edward Harder to Ligands
This is a "connection" page, showing publications Edward Harder has written about Ligands.
Connection Strength
0.582
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OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules. J Chem Theory Comput. 2019 Mar 12; 15(3):1863-1874.
Score: 0.155
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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: 0.123
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How to deal with multiple binding poses in alchemical relative protein-ligand binding free energy calculations. J Chem Theory Comput. 2015 Jun 09; 11(6):2670-9.
Score: 0.119
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Docking covalent inhibitors: a parameter free approach to pose prediction and scoring. J Chem Inf Model. 2014 Jul 28; 54(7):1932-40.
Score: 0.112
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Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials. J Chem Theory Comput. 2020 Nov 10; 16(11):6926-6937.
Score: 0.043
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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: 0.029