HYDEing the false positives – scoring for lead optimization
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چکیده
منابع مشابه
HYDEing the false positives – scoring for lead optimization
It is highly desirable to have a scoring function that provides guidance for the design of compounds with optimized bioactivity. HYDE [1] is such a scoring function, considering the essential interactions in protein-ligand complexes. HYDE describes consistently hydrogen bonds, the hydrophobic effect and desolvation. Its basic principle is a well balanced assessment of the energetics of desolvat...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2011
ISSN: 1758-2946
DOI: 10.1186/1758-2946-3-s1-p29