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Flexible Refinement of Protein-Ligand Docking on Manifolds
Our work is motivated by energy minimization of biological macromolecules, an essential step in computational docking. By allowing some ligand flexibility, we generalize a recently introduced novel representation of rigid body minimization as an optimization on the [Formula: see text] manifold, rath...
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| Main Authors: | , , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4019453/ https://ncbi.nlm.nih.gov/pubmed/24830567 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1109/CDC.2013.6760077 |
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