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Virtual Screening Using Molecular Simulations

Effective virtual screening relies on our ability to make accurate prediction of protein-ligand binding, which remains a great challenge. In this work, utilizing the molecular-mechanics Poisson-Boltzmann (or Generalized Born) Surface Area approach, we have evaluated the binding affinity of a set of...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Yang, Tianyi, Wu, Johnny C., Yan, Chunli, Wang, Yuanfeng, Luo, Ray, Gonzales, Michael B., Dalby, Kevin N., Ren, Pengyu
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2011
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC3092865/
https://ncbi.nlm.nih.gov/pubmed/21491494
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.23018
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