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Accelerated Molecular Dynamics Simulations of Ligand Binding to a Muscarinic G-protein Coupled Receptor

Elucidating the detailed process of ligand binding to a receptor is pharmaceutically important for identifying druggable binding sites. With the ability to provide atomistic detail, computational methods are well poised to study these processes. Here, accelerated molecular dynamics (aMD) is proposed...

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Detalhes bibliográficos
Publicado no:Q Rev Biophys
Main Authors: Kappel, Kalli, Miao, Yinglong, McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5435230/
https://ncbi.nlm.nih.gov/pubmed/26537408
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1017/S0033583515000153
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