Geometry-Based versus Small-Molecule Tracking Method for Tunnel Identification: Benefits and Pitfalls.

Mitusinska, Karolina; Bzówka, Maria; Magdziarz, Tomasz; Góra, Artur

Mitusinska, Karolina; Bzówka, Maria; Magdziarz, Tomasz; Góra, Artur.

Afiliação

Mitusinska K; Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, 44-100 Gliwice, Poland.
Bzówka M; Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, 44-100 Gliwice, Poland.
Magdziarz T; Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, 44-100 Gliwice, Poland.
Góra A; Tunneling Group, Biotechnology Centre, Silesian University of Technology, Krzywoustego 8, 44-100 Gliwice, Poland.

J Chem Inf Model ; 62(24): 6803-6811, 2022 12 26.

Article em En | MEDLINE | ID: mdl-36374085

Assuntos

Simulação de Dinâmica Molecular

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular Tipo de estudo: Diagnostic_studies Idioma: En Revista: J Chem Inf Model Ano de publicação: 2022 Tipo de documento: Article

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