Perspective: Coarse-grained models for biomolecular systems

WG Noid - The Journal of chemical physics, 2013 - pubs.aip.org
By focusing on essential features, while averaging over less important details, coarse-
grained (CG) models provide significant computational and conceptual advantages with …

Global dynamics of proteins: bridging between structure and function

I Bahar, TR Lezon, LW Yang… - Annual review of …, 2010 - annualreviews.org
Biomolecular systems possess unique, structure-encoded dynamic properties that underlie
their biological functions. Recent studies indicate that these dynamic properties are …

[LIVRO][B] Coarse-graining of condensed phase and biomolecular systems

GA Voth - 2008 - taylorfrancis.com
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and
Biomolecular Systems examines systematic ways of constructing coarse-grained …

Integrative, dynamic structural biology at atomic resolution—it's about time

H Van Den Bedem, JS Fraser - Nature methods, 2015 - nature.com
Biomolecules adopt a dynamic ensemble of conformations, each with the potential to
interact with binding partners or perform the chemical reactions required for a multitude of …

Structure of the full-length Shaker potassium channel Kv1. 2 by normal-mode-based X-ray crystallographic refinement

X Chen, Q Wang, F Ni, J Ma - Proceedings of the National Academy of …, 2010 - pnas.org
Voltage-dependent potassium channels (Kv) are homotetramers composed of four voltage
sensors and one pore domain. Because of high-level structural flexibility, the first …

Combining efficient conformational sampling with a deformable elastic network model facilitates structure refinement at low resolution

GF Schröder, AT Brunger, M Levitt - Structure, 2007 - cell.com
Structural studies of large proteins and protein assemblies are a difficult and pressing
challenge in molecular biology. Experiments often yield only low-resolution or sparse data …

[HTML][HTML] Normal mode analysis as a routine part of a structural investigation

JA Bauer, J Pavlović, V Bauerová-Hlinková - Molecules, 2019 - mdpi.com
Normal mode analysis (NMA) is a technique that can be used to describe the flexible states
accessible to a protein about an equilibrium position. These states have been shown …

X-ray scattering studies of protein structural dynamics

SP Meisburger, WC Thomas, MB Watkins… - Chemical …, 2017 - ACS Publications
X-ray scattering is uniquely suited to the study of disordered systems and thus has the
potential to provide insight into dynamic processes where diffraction methods fail. In …

Biomolecular dynamics: order–disorder transitions and energy landscapes

PC Whitford, KY Sanbonmatsu… - Reports on Progress in …, 2012 - iopscience.iop.org
While the energy landscape theory of protein folding is now a widely accepted view for
understanding how relatively weak molecular interactions lead to rapid and cooperative …

Evolution of complex RNA polymerases: the complete archaeal RNA polymerase structure

Y Korkhin, UM Unligil, O Littlefield, PJ Nelson… - PLoS …, 2009 - journals.plos.org
The archaeal RNA polymerase (RNAP) shares structural similarities with eukaryotic RNAP II
but requires a reduced subset of general transcription factors for promoter-dependent …