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Ligand Docking to Intermediate and Close-To-Bound Conformers Generated by an Elastic Network Model Based Algorithm for Highly Flexible Proteins

Incorporating receptor flexibility in small ligand-protein docking still poses a challenge for proteins undergoing large conformational changes. In the absence of bound structures, sampling conformers that are accessible by apo state may facilitate docking and drug design studies. For this aim, we d...

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Pubblicato in:PLoS One
Autori principali: Kurkcuoglu, Zeynep, Doruker, Pemra
Natura: Artigo
Lingua:Inglês
Pubblicazione: Public Library of Science 2016
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4922591/
https://ncbi.nlm.nih.gov/pubmed/27348230
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0158063
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