Motional timescale predictions by molecular dynamics simulations: Case study using proline and hydroxyproline sidechain dynamics

We propose a new approach for force field optimizations which aims at reproducing dynamics characteristics using biomolecular MD simulations, in addition to improved prediction of motionally averaged structural properties available from experiment. As the source of experimental data for dynamics fit...

Descripción completa

Detalles Bibliográficos
Autores principales: Aliev, Abil E, Kulke, Martin, Khaneja, Harmeet S, Chudasama, Vijay, Sheppard, Tom D, Lanigan, Rachel M
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BlackWell Publishing Ltd 2014
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4282583/
https://www.ncbi.nlm.nih.gov/pubmed/23818175
http://dx.doi.org/10.1002/prot.24350

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4282583/
https://www.ncbi.nlm.nih.gov/pubmed/23818175
http://dx.doi.org/10.1002/prot.24350

Ejemplares similares