Normal mode analysis of molecular motions in curvilinear coordinates on a non-Eckart body-frame: an application to protein torsion dynamics

DOI10.1007/s10910-012-9987-8zbMath1252.92010OpenAlexW2009579130WikidataQ57975944 ScholiaQ57975944MaRDI QIDQ454314

Krister O. E. Henriksson, Jose Ramon López-Blanco, Janne Pesonen, Pablo M. Chacón

Publication date: 1 October 2012

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-012-9987-8

zbMATH Keywords

equations of motioncurvilinear coordinatesfinite displacementsnon-Euclidean metricChristoffel symbolCoriolis couplingnon-Eckart framevibration-rotation Lagrangian

Mathematics Subject Classification ID

Chemistry (92E99) Probabilistic models, generic numerical methods in probability and statistics (65C20) Biochemistry, molecular biology (92C40) Biophysics (92C05)

Uses Software

• iMod

Cites Work

• New foundations for classical mechanics.
• Gauge Theory of Small Vibrations in Polyatomic Molecules
• Unnamed Item

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