A coarse graining method for the dimension reduction of the state space of biomolecules

DOI10.1007/s10910-012-0051-5zbMath1309.92036OpenAlexW2071502020MaRDI QIDQ1930498

Marcus Weber, Martina Klimm, Konstantin Fackeldey

Publication date: 11 January 2013

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

Full work available at URL: https://doi.org/10.1007/s10910-012-0051-5

zbMATH Keywords

dimension reductioncoarse grainingbiomoleculesMarkov state models (MSM)

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40)

Uses Software

• NAMD
• Gromacs

Cites Work

• A direct approach to conformational dynamics based on hybrid Monte Carlo
• Inference from iterative simulation using multiple sequences
• Robust Perron cluster analysis in conformation dynamics
• Berry's phase and wavefunctions for time-dependent Hamilton systems
• Long‐Time Protein Folding Dynamics from Short‐Time Molecular Dynamics Simulations
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