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Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis
BACKGROUND: Identifying druggable cavities on a protein surface is a crucial step in structure based drug design. The cavities have to present suitable size and shape, as well as appropriate chemical complementarity with ligands. RESULTS: We present a novel cavity prediction method that analyzes res...
Shranjeno v:
izdano v: | BMC Bioinformatics |
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Main Authors: | , , , , , , , |
Format: | Artigo |
Jezik: | Inglês |
Izdano: |
BioMed Central
2015
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Teme: | |
Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4381396/ https://ncbi.nlm.nih.gov/pubmed/25888251 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s12859-015-0518-z |
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