Collision-free poisson motion planning in ultra high-dimensional molecular conformation spaces
نویسندگان
چکیده
منابع مشابه
Collision-Free Poisson Motion Planning in Ultra High-Dimensional Molecular Conformation Spaces
The function of protein, RNA, and DNA is modulated by fast, dynamic exchanges between three-dimensional conformations. Conformational sampling of biomolecules with exact and nullspace inverse kinematics, using rotatable bonds as revolute joints and noncovalent interactions as holonomic constraints, can accurately characterize these native ensembles. However, sampling biomolecules remains challe...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2018
ISSN: 0192-8651
DOI: 10.1002/jcc.25138