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Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach

Ligand docking to flexible protein molecules can be efficiently carried out through ensemble docking to multiple protein conformations, either from experimental X-ray structures or from in silico simulations. The success of ensemble docking often requires the careful selection of complementary prote...

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Podrobná bibliografie
Vydáno v:J Comput Aided Mol Des
Hlavní autoři: Lam, Polo C.-H., Abagyan, Ruben, Totrov, Maxim
Médium: Artigo
Jazyk:Inglês
Vydáno: Springer International Publishing 2017
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5767200/
https://ncbi.nlm.nih.gov/pubmed/28887659
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-017-0058-x
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