Modeling structural dynamics of biomolecular complexes by coarse-grained molecular simulations
… atomistic molecular dynamics for small-scale dynamics, large-… CG model and a low friction
constant in Langevin dynamics. … Fourth, we simulated structural dynamics of dinucleosomes …
constant in Langevin dynamics. … Fourth, we simulated structural dynamics of dinucleosomes …
Dynamics of proteins and biomolecular complexes: inferring functional motions from structure
I Bahar - Reviews in Chemical Engineering, 1999 - degruyter.com
A model referred to as a Gaussian network model (GNM) was recently introduced for estimating
the dynamic characteristics of biomolecular structures, based on atomic coordinates in …
the dynamic characteristics of biomolecular structures, based on atomic coordinates in …
[HTML][HTML] Integrative modelling of biomolecular complexes
PI Koukos, A Bonvin - Journal of molecular biology, 2020 - Elsevier
… with a special focus at the end on membrane protein complexes. We concentrate on … the
3D structure of a biomolecular complex via simulation when starting from the 3D structures of its …
3D structure of a biomolecular complex via simulation when starting from the 3D structures of its …
Interrogating the structural dynamics and energetics of biomolecular systems with pressure modulation
R Winter - Annual review of biophysics, 2019 - annualreviews.org
… the structure, dynamics, and stability of biomolecular systems … , dynamical properties, and
activity of biomolecular systems … mechanisms of biomolecular phase transitions and structural …
activity of biomolecular systems … mechanisms of biomolecular phase transitions and structural …
Structure, dynamics, assembly, and evolution of protein complexes
JA Marsh, SA Teichmann - Annual review of biochemistry, 2015 - annualreviews.org
… complexes is fundamental to nearly all biological processes. In recent decades, many
thousands of homomeric and heteromeric protein complex structures have … quaternary structure …
thousands of homomeric and heteromeric protein complex structures have … quaternary structure …
Studies of biomolecular conformations and conformational dynamics by mass spectrometry
IA Kaltashov, SJ Eyles - Mass spectrometry reviews, 2002 - Wiley Online Library
… on the energy surface) exhibits a certain degree of heterogeneity (although usually not
very significant), because structural dynamics is an essential feature of any protein system. …
very significant), because structural dynamics is an essential feature of any protein system. …
Modern biomolecular mass spectrometry and its role in studying virus structure, dynamics, and assembly
C Uetrecht, AJR Heck - Angewandte Chemie International …, 2011 - Wiley Online Library
… technical facets, in structural biology, focusing especially on structural virology. We describe
… structural and functional information about viral-protein and protein-complex structure, …
… structural and functional information about viral-protein and protein-complex structure, …
[PDF][PDF] Structural dynamics of biomolecular complexes
P Pokorná - is.muni.cz
… unraveling the roles of structural dynamics in biomolecular assemblies using computational
… After briefly reviewing the determinants of protein and nucleic acid structural dynamics and …
… After briefly reviewing the determinants of protein and nucleic acid structural dynamics and …
Biomolecular dynamics: order–disorder transitions and energy landscapes
PC Whitford, KY Sanbonmatsu… - Reports on Progress in …, 2012 - iopscience.iop.org
… functional importance of protein and RNA structural dynamics, this review will focus on their
dynamics, though the concepts presented may be applicable to other biomolecular systems. …
dynamics, though the concepts presented may be applicable to other biomolecular systems. …
Molecular dynamics simulations of large macromolecular complexes
… biomolecular complexes, biofuel production would certainly be bolstered by MD simulations
of realistic plant cell wall models and efficient large multi-enzyme cellulosome complexes […
of realistic plant cell wall models and efficient large multi-enzyme cellulosome complexes […
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