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Four-dimensional Docking: a Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking

Many available methods aimed at incorporating the receptor flexibility in ligand docking are computationally expensive, require a high level of user intervention, and were tested only on benchmarks of limited size and diversity. Here we describe the Four-dimensional (4D) docking approach that allows...

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Bibliografiska uppgifter
Huvudupphovsmän: Bottegoni, Giovanni, Kufareva, Irina, Totrov, Maxim, Abagyan, Ruben
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2009
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC2662720/
https://ncbi.nlm.nih.gov/pubmed/19090659
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm8009958
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