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Rigid Body Energy Minimization on Manifolds for Molecular Docking
Virtually all docking methods include some local continuous minimization of an energy/scoring function in order to remove steric clashes and obtain more reliable energy values. In this paper, we describe an efficient rigid-body optimization algorithm that, compared to the most widely used algorithms...
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| Asıl Yazarlar: | , , , , , |
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| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
2012
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| Konular: | |
| Online Erişim: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3561712/ https://ncbi.nlm.nih.gov/pubmed/23382659 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300272j |
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