Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model.

Zhao, Shiji; Wei, Haixin; Cieplak, Piotr; Duan, Yong; Luo, Ray

Zhao, Shiji; Wei, Haixin; Cieplak, Piotr; Duan, Yong; Luo, Ray.

Afiliación

Zhao S; Departments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, University of California, Irvine, Irvine, California92697, United States.
Wei H; Departments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, University of California, Irvine, Irvine, California92697, United States.
Cieplak P; SBP Medical Discovery Institute, 10901 North Torrey Pines Road, La Jolla, California92037, United States.
Duan Y; UC Davis Genome Center and Department of Biomedical Engineering, University of California, Davis, One Shields Avenue, Davis, California95616, United States.
Luo R; Departments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, University of California, Irvine, Irvine, California92697, United States.

J Chem Theory Comput ; 18(10): 6172-6188, 2022 Oct 11.

Article en En | MEDLINE | ID: mdl-36094401

Asunto(s)

Péptidos; Reproducción; Dipéptidos; Glicina; Hidrógeno

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Péptidos / Reproducción Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google