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Several techniques for the analysis of the internal motions of proteins are available — separating large collective motions from small, presumably uninteresting motions. Such descriptions are helpful in the characterization of internal motions and provide insight into the energy landscape of...
Molecular dynamics simulations on DNA and RNA that include solvent are now being performed under realistic environmental conditions of water activity and salt. Improvements to force-fields and treatments of long-range interactions have significantly increased the reliability of simulations. New...
A selection of interesting papers that were published in the two months before our press date in major journals most likely to report significant results in structural biology.
Computers are becoming increasingly fast, making it possible to perform simulations of macromolecules on timescales that were previously inaccessible. Questions have arisen concerning how well we are keeping up with computer power and the state of the art with respect to long molecular dynamics...
Recent results in structural biology and increases in computer power have prompted initial theoretical studies on capsids of nonenveloped icosahedral viruses. The macromolecular assembly of 60 to 180 protein copies into a protein shell results in a structure of considerable size for molecular...
Virus structures continue to be the basis for mechanistic virology and serve as a paradigm for solutions to problems concerning macromolecular assembly and function in general. The use of X-ray crystallography, electron cryomicroscopy and computational and biochemical methods has provided not...
Ab initio protein folding methods have been developing rapidly over the past few years and, at the last Critical assessment of methods of protein structure prediction (CASP) meeting, it was shown that important progress has been made in generating structure from sequence. Both methods based on...
Recent developments in NMR spectroscopy, along with advances in computational techniques, have produced new approaches to the interpretation of chemical shifts and spin–spin coupling constants in biomolecules. Quantum chemical studies of useful accuracy are now becoming more routine and are...
Unprecedented insights into the structure of the ribosome have been gained recently: X-ray crystallographic studies have yielded 5–9 Å resolution structures and cryo-electron microscopy has elucidated the structure of the Escherichia coli ribosome in different functional states. A 7.5 Å...
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