Work

Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections

Year: 2016

Type: article

Source: Journal of Computer-Aided Molecular Design

DOI: 10.1007/s10822-016-9955-7

Authors: Frank C. Pickard, Gerhard König, Florentina Tofoleanu, Juyong Lee, Andrew C. Simmonett, Yihan Shao, Jay W. Ponder, Bernard R. Brooks

Institutions: National Institutes of Health, National Heart, Lung, and Blood Institute, Max-Planck-Institut für Kohlenforschung, University of Oklahoma, Washington University in St. Louis

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

Open Access status: closed

Funders: National Institutes of Health, National Heart, Lung, and Blood Institute

OpenAlex ID: W2521473082

FWCI: 2.077

Cites: 82

Cited by: 28

Related to: 10