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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...
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| Publicado no: | Bioinformatics |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Oxford University Press
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4653388/ https://ncbi.nlm.nih.gov/pubmed/26249810 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btv458 |
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