Polarizable atomic multipole X-ray refinement: application to peptide crystals

Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of...

Descripción completa

Detalles Bibliográficos
Autores principales: Schnieders, Michael J., Fenn, Timothy D., Pande, Vijay S., Brunger, Axel T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2733883/
https://www.ncbi.nlm.nih.gov/pubmed/19690373
http://dx.doi.org/10.1107/S0907444909022707

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2733883/
https://www.ncbi.nlm.nih.gov/pubmed/19690373
http://dx.doi.org/10.1107/S0907444909022707

Ejemplares similares