Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening.

Adasme, Melissa F; Bolz, Sarah Naomi; Al-Fatlawi, Ali; Schroeder, Michael

Adasme, Melissa F; Bolz, Sarah Naomi; Al-Fatlawi, Ali; Schroeder, Michael.

Afiliação

Adasme MF; Biotechnology Center (BIOTEC), CMCB, Technische Universitat Dresden, Tatzberg 47-49, 01307, Dresden, Germany.
Bolz SN; Biotechnology Center (BIOTEC), CMCB, Technische Universitat Dresden, Tatzberg 47-49, 01307, Dresden, Germany.
Al-Fatlawi A; Biotechnology Center (BIOTEC), CMCB, Technische Universitat Dresden, Tatzberg 47-49, 01307, Dresden, Germany.
Schroeder M; Biotechnology Center (BIOTEC), CMCB, Technische Universitat Dresden, Tatzberg 47-49, 01307, Dresden, Germany. michael.schroeder@tu-dresden.de.

J Cheminform ; 14(1): 17, 2022 Mar 15.

Article em En | MEDLINE | ID: mdl-35292113

Palavras-chave

Binding mode; Fragments; Interactions fingerprint; Non-covalent interactions; Structural data

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Screening_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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