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An Algorithm for Computing Side Chain Conformational Variations of a Protein Tunnel/Channel
In this paper, a novel method to compute side chain conformational variations for a protein molecule tunnel (or channel) is proposed. From the conformational variations, we compute the flexibly deformed shapes of the initial tunnel, and present a way to compute the maximum size of the ligand that ca...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6222877/ https://www.ncbi.nlm.nih.gov/pubmed/30261587 http://dx.doi.org/10.3390/molecules23102459 |