Applications of the molecular dynamics flexible fitting method
نویسندگان
چکیده
منابع مشابه
Damped-dynamics flexible fitting.
In fitting atomic structures into EM maps, it often happens that the map corresponds to a different conformation of the structure. We have developed a new methodology to handle these situations that preserves the covalent geometry of the structure and allows the modeling of large deformations. The first goal is achieved by working in generalized coordinates (positional and internal coordinates)...
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ژورنال
عنوان ژورنال: Journal of Structural Biology
سال: 2011
ISSN: 1047-8477
DOI: 10.1016/j.jsb.2010.09.024