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Advances and challenges in time-resolved macromolecular crystallography

Science, 2021
Bright future ahead for crystallography Macromolecular x-ray crystallography typically provides static snapshots of systems at equilibrium. Advances in time-resolved crystallography have made it possible to capture dynamics in biomolecules: large and ...
G. Brändén, R. Neutze
semanticscholar   +1 more source

Crystallography & NMR system: A new software suite for macromolecular structure determination.

Acta Crystallographica Section D: Biological Crystallography, 1998
A new software suite, called Crystallography & NMR System (CNS), has been developed for macromolecular structure determination by X-ray crystallography or solution nuclear magnetic resonance (NMR) spectroscopy.
Axel T. Brüngera   +13 more
semanticscholar   +1 more source

The CCP4 suite: programs for protein crystallography.

Acta Crystallographica Section D: Biological Crystallography, 1994
The CCP4 (Collaborative Computational Project, number 4) program suite is a collection of programs and associated data and subroutine libraries which can be used for macromolecular structure determination by X-ray crystallography.
Collaborative Computational
semanticscholar   +1 more source

WinGX suite for small-molecule single-crystal crystallography

, 1999
The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and signi®cant updates to existing ones.
L. Farrugia
semanticscholar   +1 more source

A life in crystallography

Dalton Transactions, 2020
This themed issue honors Professor Abraham Clearfield FRSC who has been a luminary for more than 60 years in the fields of crystallography, inorganic solid-state chemistry and materials science, and has touched the lives of many colleagues and friends during this time.
Jorge L. Colón, Angel Martí, Luyi Sun
openaire   +3 more sources

GSAS‐II: the genesis of a modern open‐source all purpose crystallography software package

, 2013
The newly developed GSAS-II software is a general purpose package for data reduction, structure solution and structure refinement that can be used with both single-crystal and powder diffraction data from both neutron and X-ray sources, including ...
B. Toby, R. Dreele
semanticscholar   +1 more source

Crystallography of hemerythrin

Journal of Molecular Biology, 1974
X-ray crystallographic studies of hemerythrin from Golfingia gouldii show that the molecules pack in a tetragonal cell with two sets of molecules in an apparently face-centred array seen in projection along the 4-fold axis, but displaced relatively to each other by approximately c10 in the axial direction.
North, A., Stubbs, G.
openaire   +4 more sources

RNA crystallography

Biopolymers, 1997
The current state of three-dimensional structure analysis of RNA by x-ray crystallography is summarized. The methods of sample preparation, crystallization, data collection, and structure solution are discussed, followed by a review of the RNA structures that have been determined and of common structural features, and finally, an appraisal of future ...
S R, Holbrook, S H, Kim
openaire   +2 more sources

Crystallography and Calculi

Journal of Small Animal Practice, 1966
Abstract— A short account is given of the value of the various kinds of crystallographic examination of calculi. The results of X‐ray diffraction analysis of twenty urinary calculi from dogs (urate, oxalate, phosphate and cystine types) are compared with those obtained by qualitative chemical analysis.
K. Lonsdale   +3 more
openaire   +3 more sources

xia2: an expert system for macromolecular crystallography data reduction

, 2010
An expert system for macromolecular crystallography data reduction is presented, which builds on existing software to automate the complete data reduction process from images to merged structure factor amplitudes.
G. Winter
semanticscholar   +1 more source

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