ISSN:
1573-9023
Keywords:
flexible ligand docking
;
flexible ligand superposition
;
molecular similarity
;
thrombin
;
virtual screening
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The development of similarity methods for fast flexible ligand superposition has recently received considerable attention. These efforts have brought similarity methods to a level of performance comparable to the well established protein-ligand docking methods for binding mode assessment and molecular database screening. However, the strengths and intrinsic limitations of both methodologies have been also stressed out extensively. As the number of resolved ligand-bound protein structures increases, combining ligand-based and receptor-based approaches emerges as a consensus strategy to maximally exploit the structural information available and improve the results obtained with either of the methods alone.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1008789224614
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