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NRGsuite: a PyMOL plugin to perform docking simulations in real time using FlexAID
Ligand protein docking simulations play a fundamental role in understanding molecular recognition. Herein we introduce the NRGsuite, a PyMOL plugin that permits the detection of surface cavities in proteins, their refinements, calculation of volume and use, individually or jointly, as target binding...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4653388/ https://www.ncbi.nlm.nih.gov/pubmed/26249810 http://dx.doi.org/10.1093/bioinformatics/btv458 |