Diffuse X-ray scattering from correlated motions in a protein crystal

Rigid-body motion is the main source of diffuse scattering in protein crystallography

(2019) T. de Klijn et al.   IUCrJ

Bringing diffuse X-ray scattering into focus

(2018) Michael E Wall et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

CCP4i2: the new graphical user interface to the CCP4 program suite

(2018) Liz Potterton et al.   Acta Crystallographica Section D-Structural Biology

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

(2018) Michael E. Wall   IUCrJ

Intermolecular correlations are necessary to explain diffuse scattering from protein crystals

(2018) Ariana Peck et al.   IUCrJ

Molecular dynamics simulations of macromolecular crystals

(2018) David S. Cerutti et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Macromolecular diffractive imaging using imperfect crystals

(2016) Kartik Ayyer et al.   NATURE

Measuring and modeling diffuse scattering in protein X-ray crystallography

(2016) Andrew H. Van Benschoten et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning

(2015) Chad W. Hopkins et al.   Journal of Chemical Theory and Computation

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Molecular dynamics simulation of triclinic lysozyme in a crystal lattice

(2015) Pawel A. Janowski et al.   PROTEIN SCIENCE

One hundred years of diffuse scattering

(2015) T.R. Welberry et al.   Crystallography Reviews

Acoustic vibrations contribute to the diffuse scatter produced by ribosome crystals

(2015) Yury S. Polikanov et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank

(2014) John D. Westbrook et al.   BIOINFORMATICS

E pluribus unum, no more: from one crystal, many conformations

(2014) Rahel A Woldeyes et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering

(2014) Michael E. Wall et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

How good are my data and what is the resolution?

(2013) Philip R. Evans et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Collaboration gets the most out of software

(2013) Andrew Morin et al.   eLife

Linking Crystallographic Model and Data Quality

(2012) P. A. Karplus et al.   SCIENCE

REFMAC5 for the refinement of macromolecular crystal structures

(2011) Garib N. Murshudov et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Overview of theCCP4 suite and current developments

(2011) Martyn D. Winn et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

XDS

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Evaluating Elastic Network Models of Crystalline Biological Molecules with Temperature Factors, Correlated Motions, and Diffuse X-Ray Scattering

(2010) Demian Riccardi et al.   BIOPHYSICAL JOURNAL

Elastic constants in tetragonal hen egg-white lysozyme crystals containing large amount of water

(2009) H. Koizumi et al.   PHYSICAL REVIEW E

On the Relationship between Diffraction Patterns and Motions in Macromolecular Crystals

(2009) Peter B. Moore   STRUCTURE