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Grid-based Molecular Footprint Comparison Method for Docking and De Novo Design: Application to HIVgp41
Scoring functions are a critically important component of computer-aided screening methods for the identification of lead compounds during early stages of drug discovery. Here, we present a new multi-grid implementation of the footprint similarity (FPS) scoring function that was recently developed i...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4016043/ https://ncbi.nlm.nih.gov/pubmed/23436713 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23245 |
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