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Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape
Molecular docking is a computational approach for predicting the most probable position of ligands in the binding sites of macromolecules and constitutes the cornerstone of structure‐based computer‐aided drug design. Here, we present a new algorithm called Attracting Cavities that allows molecular d...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4738475/ https://www.ncbi.nlm.nih.gov/pubmed/26558715 http://dx.doi.org/10.1002/jcc.24249 |