DeepCubist: Molecular Generator for Designing Peptidomimetics based on Complex three-dimensional scaffolds.

Umedera, Kohei; Yoshimori, Atsushi; Chen, Hengwei; Kouji, Hiroyuki; Nakamura, Hiroyuki; Bajorath, Jürgen

Umedera, Kohei; Yoshimori, Atsushi; Chen, Hengwei; Kouji, Hiroyuki; Nakamura, Hiroyuki; Bajorath, Jürgen.

Afiliación

Umedera K; School of Life Science and Technology, Tokyo Institute of Technology, 4259, Nagatsuta-cho, Midori-ku, 226-8503, Yokohama, Japan.
Yoshimori A; Department of Life Science Informatics, LIMES Program Unit Chemical Biology and Medicinal Chemistry, B-IT, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 5/6, D-53115, Bonn, Germany.
Chen H; Institute for Theoretical Medicine, Inc, 26-1, Muraoka-Higashi 2-chome, 251-8555, Fujisawa, Kanagawa, Japan.
Kouji H; Department of Life Science Informatics, LIMES Program Unit Chemical Biology and Medicinal Chemistry, B-IT, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 5/6, D-53115, Bonn, Germany.
Nakamura H; Oita University Institute of Advanced Medicine, Inc, 17-20, Higashi Kasuga-machi, 870-0037, Oita City, Oita, Japan.
Bajorath J; School of Life Science and Technology, Tokyo Institute of Technology, 4259, Nagatsuta-cho, Midori-ku, 226-8503, Yokohama, Japan. hiro@res.titech.ac.jp.

J Comput Aided Mol Des ; 37(2): 107-115, 2023 02.

Article en En | MEDLINE | ID: mdl-36462089

Asunto(s)

Peptidomiméticos; Peptidomiméticos/farmacología; Péptidos/química; Proteínas/química

Palabras clave

3D scaffold; Deep learning; Generative modeling; Peptidomimetics

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Peptidomiméticos Idioma: En Revista: J Comput Aided Mol Des Asunto de la revista: BIOLOGIA MOLECULAR / ENGENHARIA BIOMEDICA Año: 2023 Tipo del documento: Article País de afiliación: Japón

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