Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation
نویسندگان
چکیده
منابع مشابه
Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation.
In this paper, a method of simulating the docking of small flexible ligands to flexible receptors in water is reported. The method is based on molecular dynamics simulations and is an extension of an algorithm previously reported by Di Nola et al. (Di Nola et al., Proteins 1994;19:174-182). The method allows a fast exploration of the receptor surface, using a high temperature of the center of m...
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ژورنال
عنوان ژورنال: Proteins: Structure, Function, and Genetics
سال: 1999
ISSN: 0887-3585,1097-0134
DOI: 10.1002/(sici)1097-0134(19990501)35:2<153::aid-prot2>3.0.co;2-e