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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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Vydáno v:Q Rev Biophys
Hlavní autoři: Kappel, Kalli, Miao, Yinglong, McCammon, J. Andrew
Médium: Artigo
Jazyk:Inglês
Vydáno: 2015
Témata:
On-line přístup: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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