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The Movable Type Method Applied to Protein-Ligand Binding

Accurately computing the free energy for biological processes like protein folding or protein-ligand association remains a challenging problem. Both describing the complex intermolecular forces involved and sampling the requisite configuration space make understanding these processes innately diffic...

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Bibliografiske detaljer
Main Authors: Zheng, Zheng, Ucisik, Melek N., Merz, Kenneth M.
Format: Artigo
Sprog:Inglês
Udgivet: 2013
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3924725/
https://ncbi.nlm.nih.gov/pubmed/24535920
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct4005992
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