ForceGen: atomic covalent bond value derivation for Gromacs

A large number of crystallographic protein structures include ligands, small molecules and post-translational modifications. Atomic bond force values for computational atomistic models of post-translational or non-standard amino acids, metal binding active sites, small molecules and drug molecules a...

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Detalles Bibliográficos
Autores principales: Nash, Anthony, Collier, Thomas, Birch, Helen L., de Leeuw, Nora H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2017
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5719132/
https://www.ncbi.nlm.nih.gov/pubmed/29214361
http://dx.doi.org/10.1007/s00894-017-3530-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5719132/
https://www.ncbi.nlm.nih.gov/pubmed/29214361
http://dx.doi.org/10.1007/s00894-017-3530-6

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