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Flexibility and binding affinity in protein–ligand, protein–protein and multi-component protein interactions: limitations of current computational approaches

The recognition process between a protein and a partner represents a significant theoretical challenge. In silico structure-based drug design carried out with nothing more than the three-dimensional structure of the protein has led to the introduction of many compounds into clinical trials and numer...

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Autors principals: Tuffery, Pierre, Derreumaux, Philippe
Format: Artigo
Idioma:Inglês
Publicat: The Royal Society 2012
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3223636/
https://ncbi.nlm.nih.gov/pubmed/21993006
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsif.2011.0584
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