A toolkit for covalent docking with GOLD: from automated ligand preparation with KNIME to bound protein-ligand complexes.

David, Laurianne; Mdahoma, Anissa; Singh, Natesh; Buchoux, Sébastien; Pihan, Emilie; Diaz, Constantino; Rabal, Obdulia.

Afiliação

David L; Evotec SE, Molecular Architects, Integrated Drug Discovery, Toulouse 31036, France.
Mdahoma A; Evotec SE, Molecular Architects, Integrated Drug Discovery, Toulouse 31036, France.
Singh N; Evotec SE, Molecular Architects, Integrated Drug Discovery, Toulouse 31036, France.
Buchoux S; Evotec SE, Scientific Data Management, Toulouse 31036, France.
Pihan E; Evotec SE, Molecular Architects, Integrated Drug Discovery, Toulouse 31036, France.
Diaz C; Evotec SE, Molecular Architects, Integrated Drug Discovery, Toulouse 31036, France.
Rabal O; Evotec SE, Molecular Architects, Integrated Drug Discovery, Toulouse 31036, France.

Bioinform Adv ; 2(1): vbac090, 2022.

Article em En | MEDLINE | ID: mdl-36699353

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article