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Automated Site Preparation in Physics-Based Rescoring of Receptor Ligand Complexes
Hydrogen atoms are not typically observable in xray crystal structures but inferring their locations is often important in structure-based drug design. In addition, protonation states of the protein can change in response to ligand binding, as can the orientations of OH groups, a subtle form of “ind...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2744578/ https://ncbi.nlm.nih.gov/pubmed/19382204 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.22415 |
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