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...

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Detalles Bibliográficos
Autores principales: Zoete, Vincent, Schuepbach, Thierry, Bovigny, Christophe, Chaskar, Prasad, Daina, Antoine, Röhrig, Ute F., Michielin, Olivier
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2015
Materias:
Full Papers
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

Internet

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

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