Rotational Dynamics of large molecules

DOI10.1016/0097-8485(79)80005-4zbMath0398.92030OpenAlexW2093085381MaRDI QIDQ4182317

Haim Katz, Roderich Walter, R. L. Somorjai

Publication date: 1979

Published in: Computers & Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0097-8485(79)80005-4

zbMATH Keywords

Generalized CoordinatesComputer AlgorithmsBiopolymersLarge MoleculesNewton's EquationsRotational Dynamics

Mathematics Subject Classification ID

Physiological, cellular and medical topics (92Cxx) Chemistry (92Exx)

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Increasing the Time Step and Efficiency of Molecular Dynamics Simulations: Optimal Solutions for Equilibrium Simulations or Structure Refinement of Large Biomolecules

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