Small-molecule ligand docking into comparative models with Rosetta

Structure-based drug design is frequently used to accelerate the development of small-molecule therapeutics. Although substantial progress has been made in X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy, the availability of high-resolution structures is limited owing to the...

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Pubblicato in:Nat Protoc
Autori principali: Combs, Steven A, DeLuca, Samuel L, DeLuca, Stephanie H, Lemmon, Gordon H, Nannemann, David P, Nguyen, Elizabeth D, Willis, Jordan R, Sheehan, Jonathan H, Meiler, Jens
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2013
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Article
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC5750396/
https://ncbi.nlm.nih.gov/pubmed/23744289
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nprot.2013.074
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