Development and Validation of the Quantum Mechanical Bespoke Protein Force Field

[Image: see text] Molecular mechanics force field parameters for macromolecules, such as proteins, are traditionally fit to reproduce experimental properties of small molecules, and thus, they neglect system-specific polarization. In this paper, we introduce a complete protein force field that is de...

Descripción completa

Detalles Bibliográficos
Autores principales: Allen, Alice E. A., Robertson, Michael J., Payne, Michael C., Cole, Daniel J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6740169/
https://www.ncbi.nlm.nih.gov/pubmed/31528808
http://dx.doi.org/10.1021/acsomega.9b01769

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6740169/
https://www.ncbi.nlm.nih.gov/pubmed/31528808
http://dx.doi.org/10.1021/acsomega.9b01769

Ejemplares similares