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Dataset of AMBER force field parameters of drugs, natural products and steroids for simulations using GROMACS.
Loschwitz, Jennifer; Jäckering, Anna; Keutmann, Monika; Olagunju, Maryam; Olubiyi, Olujide O; Strodel, Birgit.
Afiliación
  • Loschwitz J; Institute of Biological Information Processing: Structural Biochemistry (IBI-7), Forschungszentrum Jülich, Jülich 52428, Germany.
  • Jäckering A; Institute of Theoretical and Computational Chemistry, Heinrich Heine University Düsseldorf, Düsseldorf 40225, Germany.
  • Keutmann M; Institute of Biological Information Processing: Structural Biochemistry (IBI-7), Forschungszentrum Jülich, Jülich 52428, Germany.
  • Olagunju M; Institute of Biological Information Processing: Structural Biochemistry (IBI-7), Forschungszentrum Jülich, Jülich 52428, Germany.
  • Olubiyi OO; Institute of Theoretical and Computational Chemistry, Heinrich Heine University Düsseldorf, Düsseldorf 40225, Germany.
  • Strodel B; Institute of Biological Information Processing: Structural Biochemistry (IBI-7), Forschungszentrum Jülich, Jülich 52428, Germany.
Data Brief ; 35: 106948, 2021 Apr.
Article en En | MEDLINE | ID: mdl-33855133
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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: Data Brief Año: 2021 Tipo del documento: Article País de afiliación: Alemania
Texto completo
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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: Data Brief Año: 2021 Tipo del documento: Article País de afiliación: Alemania