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Pharmacophore modeling using Site-Identification by Ligand Competitive Saturation (SILCS) with multiple probe molecules

Receptor-based pharmacophore modeling is an efficient computer-aided drug design technique that uses the structure of the target protein to identify novel leads. However, most methods consider protein flexibility and desolvation effects in a very approximate way, which may limit their use in practic...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Chem Inf Model
Prif Awduron: Yu, Wenbo, Lakkaraju, Sirish Kaushik, Raman, E. Prabhu, Fang, Lei, MacKerell, Alexander D.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2015
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC4339487/
https://ncbi.nlm.nih.gov/pubmed/25622696
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500691p
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