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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Vienna
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4785218/ https://www.ncbi.nlm.nih.gov/pubmed/27069282 http://dx.doi.org/10.1007/s00706-016-1674-1 |