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Soft Docking and Multiple Receptor Conformations in Virtual Screening
Protein conformational change is an important consideration in ligand-docking screens, but it is difficult to predict. A simple way to account for protein flexibility is to soften the criterion for steric fit between ligand and receptor. A more comprehensive but more expensive method would be to sam...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2004
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1413506/ https://ncbi.nlm.nih.gov/pubmed/15456251 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm049756p |
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