A Benchmark Study of Protein-Fragment Complex Structure Calculations with <i>N</i>MR<sup>2</sup>.

Torres, Felix; Stadler, Gabriela; Kwiatkowski, Witek; Orts, Julien

A Benchmark Study of Protein-Fragment Complex Structure Calculations with NMR².

Torres, Felix; Stadler, Gabriela; Kwiatkowski, Witek; Orts, Julien.

Afiliação

Torres F; Institute of Molecular Physical Science, Swiss Federal Institute of Technology, ETH-Hönggerberg, 8093 Zurich, Switzerland.
Stadler G; Institute of Molecular Physical Science, Swiss Federal Institute of Technology, ETH-Hönggerberg, 8093 Zurich, Switzerland.
Kwiatkowski W; Institute of Molecular Physical Science, Swiss Federal Institute of Technology, ETH-Hönggerberg, 8093 Zurich, Switzerland.
Orts J; Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria.

Int J Mol Sci ; 24(18)2023 Sep 20.

Article em En | MEDLINE | ID: mdl-37762631

Assuntos

Benchmarking; Imageamento por Ressonância Magnética; Química Farmacêutica; Cristalografia por Raios X; Biblioteca Gênica

Palavras-chave

FBDD; NMR spectroscopy; NMR2; complex structure; drug design; fragment; structureactivity relationship

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Imageamento por Ressonância Magnética / Benchmarking Idioma: En Revista: Int J Mol Sci Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Suíça

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