Dynamical models of molecular chains and efficient integration algorithms

DOI10.1016/J.CNSNS.2007.10.003zbMath1221.82007OpenAlexW2028930664MaRDI QIDQ718857

Luca Rossi, Carlo Benedetti, Giorgio Turchetti, Armando Bazzani, Sandro Rambaldi

Publication date: 24 September 2011

Published in: Communications in Nonlinear Science and Numerical Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cnsns.2007.10.003

zbMATH Keywords

molecular chainsflipping rulehard springsrigidity constraintsRunge--Kutta

Mathematics Subject Classification ID

Statistical mechanics of polymers (82D60) Biochemistry, molecular biology (92C40) Biomechanics (92C10) Numerical methods for ordinary differential equations (65L99)

Cites Work

• Quaternions and the rotation of a rigid body
• Colloquium: Geometrical approach to protein folding: a tube picture

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