Document Detail


Molecular docking methodologies.
MedLine Citation:
PMID:  23034755     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
Molecular docking represents an important technology for structure-based drug design. Docking is a computational technique aimed at the prediction of the most favorable ligand-target spatial configuration and an estimate of the corresponding complex free energy, although as stated at the beginning accurate scoring methods remain still elusive. In this chapter, the state of art of molecular docking methodologies and their applications in drug discovery is summarized.
Authors:
Andrea Bortolato; Marco Fanton; Jonathan S Mason; Stefano Moro
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Methods in molecular biology (Clifton, N.J.)     Volume:  924     ISSN:  1940-6029     ISO Abbreviation:  Methods Mol. Biol.     Publication Date:  2013  
Date Detail:
Created Date:  2012-10-04     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9214969     Medline TA:  Methods Mol Biol     Country:  United States    
Other Details:
Languages:  eng     Pagination:  339-60     Citation Subset:  IM    
Affiliation:
Heptares Therapeutics Ltd, Hertfordshire, UK.
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