Molecular replacement--historical background.
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TLDR
A review is given of the mathematical procedures required for a molecular-replacement structure determination and of the situations where a known homologous structure can be used as a search model and to phase determination in the presence of non-crystallographic symmetry.Abstract:
A review is given of the mathematical procedures required for a molecular-replacement structure determination. These apply equally to the more frequently encountered situations where a known homologous structure can be used as a search model and to phase determination in the presence of non-crystallographic symmetry (NCS). In general, the former represents improper NCS between two different unit cells, whereas the latter occurs when there is proper NCS within one unit cell.read more
Citations
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Structure of viruses: a short history.
TL;DR: This review is a partially personal account of the discovery of virus structure and its implication for virus function, covering all aspects of structural virology and to acknowledge relevant individuals.
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Antifungal and antimycobacterial activity of new imidazole and triazole derivatives. A combined experimental and computational approach
Elena Banfi,Giuditta Scialino,Daniele Zampieri,Maria Grazia Mamolo,Luciano Vio,Marco Ferrone,Maurizio Fermeglia,Maria Silvia Paneni,Sabrina Pricl +8 more
TL;DR: Molecular modelling investigations showed that the active new compounds may interact at the active site of both the fungal and the mycobacterial cytochrome P450-dependent sterol-14alpha-demethylase and that the calculated binding free energy values are in agreement with the corresponding MIC values.
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Molecular replacement then and now
TL;DR: A brief overview, with examples, of the evolution of molecular-replacement methods and models over the past few years is presented.
References
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Journal ArticleDOI
AMoRe: an automated package for molecular replacement
TL;DR: In this paper, a new molecular-replacement package is presented, which is an improvement on conventional methods, based on more powerful algorithms and a new conception that enables automation and rapid solution.
Journal ArticleDOI
Structure of a human common cold virus and functional relationship to other picornaviruses
Michael G. Rossmann,Edward Arnold,John W. Erickson,Elizabeth A. Frankenberger,James P. Griffith,Hans-Jürgen Hecht,John E. Johnson,Greg Kamer,Ming Luo,Anne G. Mosser,Roland R. Rueckert,Barbara Sherry,Gerrit Vriend +12 more
TL;DR: The first atomic resolution structure of an animal virus, human rhinovirus 14, strikingly similar to known icosahedral plant RNA viruses, and four neutralizing immunogenic regions have been identified.
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The detection of sub‐units within the crystallographic asymmetric unit
Michael G. Rossmann,D.M. Blow +1 more
TL;DR: In this article, Rossmann and Blow describe how they have detected the existence of partial, approximate symmetry from a knowledge of the intensities alone, and the effect of noncrystallographic symmetry, whether partial or total, results in decreasing the size of the structure to be determined, while the number of observable intensities remains the same.
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Structure of Small Viruses
Francis Crick,James D. Watson +1 more
TL;DR: Watson and Crick proposed that plant viruses consistently took one of two shapes because the two chemical components of which they were made up, ribonucleic acid surrounded by a large number of identical protein subunits, were assembled according to a general plan that was determined by "symmetry elements".