Edward Harder to Drug Discovery
This is a "connection" page, showing publications Edward Harder has written about Drug Discovery.
Connection Strength
1.403
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Advancing Drug Discovery through Enhanced Free Energy Calculations. Acc Chem Res. 2017 07 18; 50(7):1625-1632.
Score: 0.506
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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: 0.410
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Reliable and Accurate Prediction of Single-Residue pKa Values through Free Energy Perturbation Calculations. J Chem Theory Comput. 2022 Dec 13; 18(12):7193-7204.
Score: 0.184
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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: 0.159
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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: 0.107
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Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics. J Chem Inf Model. 2019 09 23; 59(9):3955-3967.
Score: 0.037