An improved relaxed complex scheme for receptor flexibility in computer-aided drug design
نویسندگان
چکیده
منابع مشابه
An improved relaxed complex scheme for receptor flexibility in computer-aided drug design
The interactions among associating (macro)molecules are dynamic, which adds to the complexity of molecular recognition. While ligand flexibility is well accounted for in computational drug design, the effective inclusion of receptor flexibility remains an important challenge. The relaxed complex scheme (RCS) is a promising computational methodology that combines the advantages of docking algori...
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ژورنال
عنوان ژورنال: Journal of Computer-Aided Molecular Design
سال: 2008
ISSN: 0920-654X,1573-4951
DOI: 10.1007/s10822-007-9159-2