A 3-D coarser-grained computational model for simulating large protein dynamics

DOI10.3970/CMC.2009.009.137MaRDI QIDQ3113138zbMATH OpenOpenAlexFDO

Authors Jae-In Kim, Hyoseon Jang, Jeong-Hee Ahn, Kilho Eom, Sungsoo Na

Publication date 7 February 2012

Full work available at URL https://koreauniv.pure.elsevier.com/en/publications/a-3-d-coarser-grained-computational-model-for-simulating-large-pr

zbMATH Keywords

coarser-grained anisotropic modelelastic network modellow-frequency mode

Mathematics Subject Classification ID

Computational methods for problems pertaining to biology (92-08) Biochemistry, molecular biology (92C40)

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(7)

• A coarse graining method for the dimension reduction of the state space of biomolecules
• Simulating nanoscale functional motions of biomolecules
• Exploring large macromolecular functional motions on clusters of multicore processors
• Markov Methods for Hierarchical Coarse-Graining of Large Protein Dynamics
• Coarse grained normal mode analysis vs. refined Gaussian network model for protein residue-level structural fluctuations
• Coarse-grained simulation of myosin-V movement
• Coarse-grained modeling of protein unfolding dynamics

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