NOLB: Nonlinear Rigid Block Normal-Mode Analysis Method
نویسندگان
چکیده
منابع مشابه
Normal mode analysis of macromolecular systems with the Mobile Block Hessian method
Until recently, normal mode analysis (NMA) was limited to small proteins, not only because the required energy minimization is a computationally exhausting task, but also because NMA requires the expensive diagonalization of a 3Na×3Na matrix with Na the number of atoms. A series of simplified models has been proposed, in particular the RotationTranslation Blocks (RTB) method by Tama et al. for ...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2017
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.7b00197