CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels.

Vavra, Ondrej; Filipovic, Jiri; Plhak, Jan; Bednar, David; Marques, Sergio M; Brezovsky, Jan; Stourac, Jan; Matyska, Ludek; Damborsky, Jiri

Vavra, Ondrej; Filipovic, Jiri; Plhak, Jan; Bednar, David; Marques, Sergio M; Brezovsky, Jan; Stourac, Jan; Matyska, Ludek; Damborsky, Jiri.

Afiliação

Vavra O; Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Masaryk University, Brno, Czech Republic.
Filipovic J; International Centre for Clinical Research, St. Anne's University Hospital Brno, Brno, Czech Republic.
Plhak J; Institute of Computer Science, Masaryk University, Brno, Czech Republic.
Bednar D; Institute of Computer Science, Masaryk University, Brno, Czech Republic.
Marques SM; Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Masaryk University, Brno, Czech Republic.
Brezovsky J; International Centre for Clinical Research, St. Anne's University Hospital Brno, Brno, Czech Republic.
Stourac J; Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Masaryk University, Brno, Czech Republic.
Matyska L; International Centre for Clinical Research, St. Anne's University Hospital Brno, Brno, Czech Republic.
Damborsky J; Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Masaryk University, Brno, Czech Republic.

Bioinformatics ; 35(23): 4986-4993, 2019 12 01.

Article em En | MEDLINE | ID: mdl-31077297

Assuntos

Software; Algoritmos; Sítios de Ligação; Ligantes; Simulação de Acoplamento Molecular; Proteínas

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Texto completo: 1 Bases de dados: MEDLINE Assunto principal: Software Idioma: En Revista: Bioinformatics Assunto da revista: INFORMATICA MEDICA Ano de publicação: 2019 Tipo de documento: Article País de afiliação: República Tcheca

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