Document Detail


The use of molecular graphics in structure-based drug design.
MedLine Citation:
PMID:  22222451     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
The use of 3D structures derived from X-ray crystal data in drug development has increased in recent years. Molecular graphics applications are important tools at the end of the data processing pipeline and provide means to build, refine and validate protein models and ligand structures. We describe the requirements on useful data, what such data provide and typical problems in dealing with protein-ligand complexes and how one might address them with an emphasis on the use of Coot.
Authors:
Paul Emsley; Judit E Debreczeni
Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Methods in molecular biology (Clifton, N.J.)     Volume:  841     ISSN:  1940-6029     ISO Abbreviation:  Methods Mol. Biol.     Publication Date:  2012  
Date Detail:
Created Date:  2012-01-06     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9214969     Medline TA:  Methods Mol Biol     Country:  United States    
Other Details:
Languages:  eng     Pagination:  143-59     Citation Subset:  IM    
Affiliation:
Department of Biochemistry, University of Oxford, Oxford, UK, paul.emsley@bioch.ox.ac.uk.
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