Docking of small ligands to low-resolution and theoretically predicted receptor structures
نویسندگان
چکیده
منابع مشابه
Docking of small ligands to low-resolution and theoretically predicted receptor structures
We have developed a simple docking procedure that is able to utilize low-resolution models of proteins created by structure prediction algorithms such as threading or ab initio folding to predict the conformation of receptor-small ligand complexes. In our approach, using only approximate, discretized models of both molecules, we search for the steric and quasi-chemical complementarity between a...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2001
ISSN: 0192-8651,1096-987X
DOI: 10.1002/jcc.1165