Journal ArticleDOI
CRYSOL : a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates
TLDR
In this paper, a program for evaluating the solution scattering from macromolecules with known atomic structure is presented, which uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell.Abstract:
A program for evaluating the solution scattering from macromolecules with known atomic structure is presented. The program uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell. Given the atomic coordinates (e.g. from the Brookhaven Protein Data Bank) it can either predict the solution scattering curve or fit the experimental scattering curve using only two free parameters, the average displaced solvent volume per atomic group and the contrast of the hydration layer. The program runs on IBM PCs and on the major UNIX platforms.read more
Citations
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WAXSiS: a web server for the calculation of SAXS/WAXS curves based on explicit-solvent molecular dynamics
TL;DR: A new web server WAXSiS (WAXS in solvent) that computes SWAXS curves based on explicit-solvent all-atom molecular dynamics (MD) simulations (http://waxsis.uni-goettingen.de/).
Journal ArticleDOI
Effects of myosin variants on interacting-heads motif explain distinct hypertrophic and dilated cardiomyopathy phenotypes
Lorenzo Alamo,James S. Ware,James S. Ware,James S. Ware,Antonio Pinto,Richard E. Gillilan,Jonathan G. Seidman,Christine E. Seidman,Christine E. Seidman,Raúl Padrón +9 more
TL;DR: HCM variant locations predict impaired IHM formation and stability, and attenuation of the SRX state - accounting for altered contractility, reduced diastolic relaxation, and increased energy consumption, that fully characterizes HCM pathogenesis.
Journal ArticleDOI
Structural Basis for Activation of Fatty Acid Binding Protein 4
TL;DR: Comparisons of backbone displacements induced by activating ligands with a measure of mobility derived from translation, libration, screw (TLS) refinement, and with a composite of slowest normal modes of the apo state suggest that the helical motion associated with the activation of the protein is part of the repertoire of the equilibrium motions of the Apo-protein.
Journal ArticleDOI
The structure of the box C/D enzyme reveals regulation of RNA methylation
Audrone Lapinaite,Bernd Simon,Lars Skjærven,Magdalena Rakwalska-Bange,Frank Gabel,Teresa Carlomagno +5 more
TL;DR: A powerful combination of NMR spectroscopy and small-angle neutron scattering is used to solve the structure of the 390 kDa archaeal RNP enzyme bound to substrate RNA and provides a means for differential control of methylation levels at the two sites and at the same time offers an unexpected regulatory mechanism for rRNA folding.
Journal ArticleDOI
The Role of Decorated SDS Micelles in Sub-CMC Protein Denaturation and Association
Kell K. Andersen,Cristiano L. P. Oliveira,Kim Lambertsen Larsen,Flemming M. Poulsen,Thomas Hønger Callisen,Peter Westh,Jan Skov Pedersen,Daniel E. Otzen +7 more
TL;DR: The data highlight that a minimum decorated micelle size, which may be a key driving force for intermolecular protein association, exists, and provide a structural basis for the known ability of submicellar surfactant concentrations to induce protein aggregation and fibrillation.
References
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Book
International tables for X-ray crystallography
Norman Fordyce McKerron Henry,Lonsdale, Kathleen, Dame,John S. Kasper,Caroline H. MacGillavry,Gerard D. Rieck,James A. Ibers,Walter C. Hamilton +6 more
Angular Momentum in Quantum Mechanics
TL;DR: In this paper, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.
Book
Angular Momentum in Quantum Mechanics
TL;DR: In this article, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.