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Potentially increasing the metabolic stability of drug candidates via computational site of metabolism prediction by CYP2C9: The utility of incorporating protein flexibility via an ensemble of structures

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Year: 2011
Type: article
Source: European Journal of Medicinal Chemistry
DOI: 10.1016/j.ejmech.2011.05.067
Authors: Matthew L. Danielson, Prashant V. Desai, Michael A. Mohutsky, Steven A. Wrighton, Markus A. Lill
Institutions: Purdue University West Lafayette, Eli Lilly (United States), Laboratoire de Microbiologie, Adaptation et Pathogénie
Language: English

Topic: Computational Drug Discovery Methods
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
SDG: Good health and well-being

Open Access status: green

Funders: National Institutes of Health, National Institute of General Medical Sciences
Awards: Dynamic Scoring: A novel method for quantitative modeling of guest-host associati, G6741925667, G6947801001, G7679099247
OpenAlex ID: W1987862016
FWCI: 3.929
Cites: 56
Cited by: 27
Related to: 10
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