Dynamics of Native Globular Proteins in Terms of Dihedral Angles
作者： Tosiyuki Noguti , Nobuhiro Gō
DOI: 10.1143/JPSJ.52.3283
关键词: Molecule 、 Kinetic energy 、 Mathematical analysis 、 Graphical models for protein structure 、 Coordinate system 、 Amplitude 、 Dihedral angle 、 Physics 、 Coefficient matrix 、 Globular protein
摘要: Problems are discussed that associated with extension of the time-independent method conformational energy analysis biopolymers, in which only dihedral angles treated as independent variables, to time dependent one. For molecules small amplitudes fluctuations internal motions atoms due variations shown be defined respect a coordinate system is by Eckart's condition and moving molecule. Computationally efficient explicit expressions given (i) for coefficient matrix convert changes atomic displacements from mean positions, (ii) expression kinetic terms first order derivatives variable angles.
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