Development and benchmark to obtain AMBER parameters dataset for non-standard amino acids modified with 4-hydroxy-2-nonenal.

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第一作者： Antistio,Alviz-Amador

第一单位： Analytical Chemistry and Biomedicine Group, Pharmaceutical Sciences Faculty, University of Cartagena, Cartagena, Colombia.

作者： Antistio,Alviz-Amador ^[1] ; Rodrigo,Galindo-Murillo ^[2] ; Rafael,Pineda-Alemán ^[3] ; Humberto,Pérez-González ^[4] ; Erika,Rodríguez-Cavallo ^[1] ; Ricardo,Vivas-Reyes ^[5] ; Darío,Méndez-Cuadro ^[3]

作者单位： Analytical Chemistry and Biomedicine Group, Pharmaceutical Sciences Faculty, University of Cartagena, Cartagena, Colombia. ^[1] Department of Medicinal Chemistry, University of Utah, Salt Lake, USA. ^[2] Analytical Chemistry and Biomedicine Group, Exact and Natural Sciences Faculty, University of Cartagena, Cartagena, Colombia. ^[3] Department of Mathematical, Exact and Natural Sciences Faculty, University of Cartagena, Cartagena, Colombia. ^[4] Grupo de Química Cuántica y Teórica, Facultad de Ciencias Exactas y Naturales, Universidad de Cartagena, Cartagena, Colombia. ^[5]

关键词 AMBER Force field parameterization Gaff Geometry optimization Mechanical quantic Molecular dynamics Validation

DOI 10.1016/j.dib.2018.11.102

PMID 30761340

发布时间 2020-10-01

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2018年21卷

2581-2589页

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Development and benchmark to obtain AMBER parameters dataset for non-standard amino acids modified with 4-hydroxy-2-nonenal.

Data in brief

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Data in brief

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Development and benchmark to obtain AMBER parameters dataset for non-standard amino acids modified with 4-hydroxy-2-nonenal.

Data in brief

相似文献

Data in brief

相关期刊

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