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Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations
ABSTRACT: Pharmacophore modeling is a widely used technique in computer-aided drug discovery. Structure-based pharmacophore models of a ligand in complex with a protein have proven to be useful for supporting in silico hit discovery, hit to lead expansion, and lead optimization. As a structure-based...
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| Publicat a: | Monatsh Chem |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Springer Vienna
2016
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4785218/ https://ncbi.nlm.nih.gov/pubmed/27069282 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00706-016-1674-1 |
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