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AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility

Automated docking of drug-like molecules into receptors is an essential tool in structure-based drug design. While modeling receptor flexibility is important for correctly predicting ligand binding, it still remains challenging. This work focuses on an approach in which receptor flexibility is model...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Julkaisussa:PLoS Comput Biol
Päätekijät: Ravindranath, Pradeep Anand, Forli, Stefano, Goodsell, David S., Olson, Arthur J., Sanner, Michel F.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Public Library of Science 2015
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC4667975/
https://ncbi.nlm.nih.gov/pubmed/26629955
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1004586
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