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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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| Publicado no: | J Comput Aided Mol Des |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2017
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| Assuntos: | |
| Acesso em linha: | 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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