Enhancing Ligand and Protein Sampling Using Sequential Monte Carlo.

Suruzhon, Miroslav; Bodnarchuk, Michael S; Ciancetta, Antonella; Wall, Ian D; Essex, Jonathan W

Suruzhon, Miroslav; Bodnarchuk, Michael S; Ciancetta, Antonella; Wall, Ian D; Essex, Jonathan W.

Afiliação

Suruzhon M; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, U.K.
Bodnarchuk MS; Computational Chemistry, R&D Oncology, AstraZeneca, Cambridge CB4 0WG, U.K.
Ciancetta A; Sygnature Discovery, Bio City, Pennyfoot Street, Nottingham NG1 1GR, U.K.
Wall ID; Department of Chemical, Pharmaceutical and Agricultural SciencesâDOCPAS, University of Ferrara, Via Fossato di Mortara 17/19, 44121 Ferrara, Italy.
Essex JW; GSK Medicines Research Centre, Gunnels Wood Road, Stevenage SG1 2NY, U.K.

J Chem Theory Comput ; 18(6): 3894-3910, 2022 Jun 14.

Article em En | MEDLINE | ID: mdl-35588256

Assuntos

Proteínas; Ligantes; Método de Monte Carlo

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Texto completo: 1 Coleções: 01-internacional Contexto em Saúde: 1_ASSA2030 Base de dados: MEDLINE Assunto principal: Proteínas Tipo de estudo: Health_economic_evaluation Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2022 Tipo de documento: Article

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