skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Predicting X-ray solution scattering from flexible macromolecules: WAXS from Flexible Macromolecules

Journal Article · · Protein Science
DOI:https://doi.org/10.1002/pro.3508· OSTI ID:1483071
 [1];  [2];  [2];  [3]
  1. Department of Electrical and Computer Engineering, Northeastern University, Boston Massachusetts
  2. Department of Chemistry and Chemical Biology, Northeastern University, Boston Massachusetts
  3. Department of Bioengineering, Northeastern University, Boston Massachusetts

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
NSFNIH
OSTI ID:
1483071
Journal Information:
Protein Science, Vol. 27, Issue 12; ISSN 0961-8368
Publisher:
The Protein Society
Country of Publication:
United States
Language:
ENGLISH

References (45)

An improved method for calculating the contribution of solvent to the X-ray diffraction pattern of biological molecules journal December 1978
Structural Dynamics in Ras and Related Proteins upon Nucleotide Switching journal November 2016
Molecular Crowding Inhibits Intramolecular Breathing Motions in Proteins journal January 2008
Recent Developments in Solution X-Ray Scattering journal June 1980
Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules journal June 2004
A Rapid Coarse Residue-Based Computational Method for X-Ray Solution Scattering Characterization of Protein Folds and Multiple Conformational States of Large Protein Complexes journal June 2009
Scalable molecular dynamics with NAMD journal January 2005
CRYSOL – a Program to Evaluate X-ray Solution Scattering of Biological Macromolecules from Atomic Coordinates journal December 1995
Simulated x-ray scattering of protein solutions using explicit-solvent models journal April 2009
Determination of the regularization parameter in indirect-transform methods using perceptual criteria journal August 1992
The Amber biomolecular simulation programs journal January 2005
Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation journal May 2014
Modulation of HIV protease flexibility by the T80N mutation: HIV Protease Flexibility journal September 2015
Visualizing global properties of a molecular dynamics trajectory: Visualizing Global Properties journal November 2015
Decomposing the Energetic Impact of Drug Resistant Mutations in HIV-1 Protease on Binding DRV journal March 2010
Rapid calculation of the solution scattering profile from a macromolecule of known structure journal January 1989
Conformational States of Human Rat Sarcoma (Ras) Protein Complexed with Its Natural Ligand GTP and Their Role for Effector Interaction and GTP Hydrolysis journal October 2010
The Effects of Thermal Disorder on the Solution-Scattering Profiles of Macromolecules journal April 2014
Effects of Catalytic Action and Ligand Binding on Conformational Ensembles of Adenylate Kinase journal August 2017
How does a symmetric dimer recognize an asymmetric substrate? a substrate complex of HIV-1 protease journal September 2000
On the interpretation and prediction of X-ray scattering profiles of biomolecules in solution journal April 1982
Molecular switch for signal transduction: structural differences between active and inactive forms of protooncogenic ras proteins journal February 1990
Improved Fitting of Solution X-ray Scattering Data to Macromolecular Structures and Structural Ensembles by Explicit Water Modeling journal November 2010
Direct Attack on RAS: Intramolecular Communication and Mutation-Specific Effects journal April 2015
X-ray solution scattering studies of the structural diversity intrinsic to protein ensembles journal April 2011
SoftWAXS : a computational tool for modeling wide-angle X-ray solution scattering from biomolecules journal September 2009
Protein hydration in solution: Experimental observation by x-ray and neutron scattering journal March 1998
X-ray solution scattering (SAXS) combined with crystallography and computation: defining accurate macromolecular structures, conformations and assemblies in solution journal August 2007
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins journal April 1998
Upgrade of MacCHESS facility for X-ray scattering of biological macromolecules in solution journal January 2015
Role of Invariant Thr80 in Human Immunodeficiency Virus Type 1 Protease Structure, Function, and Viral Infectivity journal June 2006
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models journal October 1992
Expression, purification, crystallization and X-ray data collection for RAS and its mutants journal March 2016
A Comprehensive Survey of Ras Mutations in Cancer journal May 2012
BioXTAS RAW , a software program for high-throughput automated small-angle X-ray scattering data reduction and preliminary analysis journal August 2009
Allosteric Effects of the Oncogenic RasQ61L Mutant on Raf-RBD journal March 2015
The BioCAT undulator beamline 18ID: a facility for biological non-crystalline diffraction and X-ray absorption spectroscopy at the Advanced Photon Source journal August 2004
Mapping the Nucleotide and Isoform-Dependent Structural and Dynamical Features of Ras Proteins journal June 2008
Hydrophobic Core Flexibility Modulates Enzyme Activity in HIV-1 Protease journal February 2012
The small GTPases K-Ras, N-Ras, and H-Ras have distinct biochemical properties determined by allosteric effects journal June 2017
Three-dimensional triple-resonance NMR Spectroscopy of isotopically enriched proteins journal December 2011
The GTPase superfamily: conserved structure and molecular mechanism journal January 1991
Allosteric modulation of Ras positions Q61 for a direct role in catalysis journal March 2010
VMD: Visual molecular dynamics journal February 1996
Intrinsic motions along an enzymatic reaction trajectory journal November 2007

Similar Records

Two new sealed sample cells for small angle x-ray scattering from macromolecules in solution and complex fluids using synchrotron radiation
Journal Article · Mon Nov 01 00:00:00 EST 2004 · Review of Scientific Instruments · OSTI ID:1483071

Small Angle X-Ray and Neutron Scattering from Solutions of Biological Macromolecules
Journal Article · Tue Apr 01 00:00:00 EDT 2014 · Acta Crystallographica. Section D: Biological Crystallography · OSTI ID:1483071

Structural analysis of flexible proteins in solution by SmallAngle X-ray Scattering combined with crystallography
Journal Article · Thu May 25 00:00:00 EDT 2006 · Journal of Structural Biology · OSTI ID:1483071

Related Subjects