An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations
Developing an understanding of the mechanism of voltage-gated ion channels in molecular
terms requires knowledge of the structure of the active and resting conformations. Although …
terms requires knowledge of the structure of the active and resting conformations. Although …
X-ray scattering studies of protein structural dynamics
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 …
potential to provide insight into dynamic processes where diffraction methods fail. In …
Structure of the full-length Shaker potassium channel Kv1. 2 by normal-mode-based X-ray crystallographic refinement
Voltage-dependent potassium channels (Kv) are homotetramers composed of four voltage
sensors and one pore domain. Because of high-level structural flexibility, the first …
sensors and one pore domain. Because of high-level structural flexibility, the first …
Mapping enzyme landscapes by time-resolved crystallography with synchrotron and x-ray free electron laser light
MA Wilson - Annual review of biophysics, 2022 - annualreviews.org
Directly observing enzyme catalysis in real time at the molecular level has been a long-
standing goal of structural enzymology. Time-resolved serial crystallography methods at …
standing goal of structural enzymology. Time-resolved serial crystallography methods at …
[图书][B] Proteins: energy, heat and signal flow
DM Leitner, JE Straub - 2009 - taylorfrancis.com
Computational modeling can provide a wealth of insight into how energy flow in proteins
mediates protein function. Computational methods can also address fundamental questions …
mediates protein function. Computational methods can also address fundamental questions …
Validation of crystallographic models containing TLS or other descriptions of anisotropy
F Zucker, PC Champ, EA Merritt - Acta Crystallographica Section D …, 2010 - journals.iucr.org
The use of TLS (translation/libration/screw) models to describe anisotropic displacement of
atoms within a protein crystal structure has become increasingly common. These models …
atoms within a protein crystal structure has become increasingly common. These models …
Comparisons of experimental and computed protein anisotropic temperature factors
Because of its appealing simplicity, the anisotropic network model (ANM) has been widely
accepted and applied to study many molecular motion problems: such as ribosome motions …
accepted and applied to study many molecular motion problems: such as ribosome motions …
Recent developments in phasing and structure refinement for macromolecular crystallography
PD Adams, PV Afonine, RW Grosse-Kunstleve… - Current opinion in …, 2009 - Elsevier
Central to crystallographic structure solution is obtaining accurate phases in order to build a
molecular model, ultimately followed by refinement of that model to optimize its fit to the …
molecular model, ultimately followed by refinement of that model to optimize its fit to the …
Structural basis of actin filament nucleation by tandem W domains
Spontaneous nucleation of actin is very inefficient in cells. To overcome this barrier, cells
have evolved a set of actin filament nucleators to promote rapid nucleation and …
have evolved a set of actin filament nucleators to promote rapid nucleation and …
A minimalist network model for coarse-grained normal mode analysis and its application to biomolecular x-ray crystallography
M Lu, J Ma - Proceedings of the National Academy of …, 2008 - National Acad Sciences
In this article, we report a method for coarse-grained normal mode analysis called the
minimalist network model. The main features of the method are that it can deliver accurate …
minimalist network model. The main features of the method are that it can deliver accurate …