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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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Bibliografische gegevens
Gepubliceerd in:Q Rev Biophys
Hoofdauteurs: Kappel, Kalli, Miao, Yinglong, McCammon, J. Andrew
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2015
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Online toegang: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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