scholarly journals Bacterial Biocatalysts: Molecular Biology, Three-Dimensional Structures, and Biotechnological Applications of Lipases

1999 ◽  
Vol 53 (1) ◽  
pp. 315-351 ◽  
Author(s):  
K-E. Jaeger ◽  
B. W. Dijkstra ◽  
M. T. Reetz
Keyword(s):  
Molecular Biology ◽  
Three Dimensional ◽  
Biotechnological Applications

Diffuse scattering in protein crystallography

1995 ◽  
Vol 28 (2) ◽  
pp. 131-169 ◽  
Author(s):  
Jean-Pierre Benoit ◽  
Jean Doucet
Keyword(s):  
Molecular Biology ◽  
Active Site ◽  
Diffuse Scattering ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Physico Chemical ◽  
Chemical Conditions ◽  
Functional Mechanisms

The understanding of flexibility and deformability in proteins is one of the current major challenges of structural molecular biology. The knowledge of the average atomic positions of three-dimensional folding of proteins, which is obtained either by X-ray diffraction or n.m.r. spectroscopy, is generally not sufficient to explain their functional mechanisms. Very often it is necessary to consider the existence of other concerted atomic motions as, for example, in the well-known case of the CO molecule fixation at the active site of myoglobin which requires the concerted displacement of a large number of atoms in order to open a channel down to this site. This opening, which depends on the physico-chemical conditions, plays the role of a regulator in the biochemical reactions (Janin & Wodak, 1983; Tainer et al. 1984; Westhof et al. 1984; Ormos et al. 1988).

scholarly journals Sir Aaron Klug OM. 11 August 1926—20 November 2018

2020 ◽  
Vol 68 ◽  
pp. 273-296
Author(s):  
R. A. Crowther
Keyword(s):  
Electron Microscopy ◽  
Molecular Biology ◽  
Royal Society ◽  
Zinc Fingers ◽  
Three Dimensional ◽  
Transfer Rna ◽  
Biological Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Atomic Structures

Aaron Klug made outstanding contributions to the development of structural molecular biology. An early interest in viruses, stemming from work with Rosalind Franklin, prompted him to think deeply about extracting the information contained in electron micrographs. As a result, he proposed a method for making three-dimensional maps of biological specimens from the projected images given by micrographs. For this development and its application to complex molecular assemblies, he was awarded the 1982 Nobel Prize in Chemistry. The recent revolution in biological structure determination, whereby atomic structures can now be determined from micrographs of frozen hydrated specimens, derives from this initial breakthrough. With colleagues, Aaron applied X-ray crystallography and electron microscopy to determine the structures and thereby understand the functions of many biological assemblies, including viruses, transfer RNA, chromatin and zinc fingers. He also made important forays into the pathogenesis of Alzheimer's disease and related dementias. Aaron was director of the MRC Laboratory of Molecular Biology in Cambridge from 1986 to 1996 and President of the Royal Society from 1995 to 2000.

scholarly journals A Review on Molecular Docking

2021 ◽  
pp. 60-68
Author(s):  
Khemnar Manisha Dnyandev ◽  
Galave Vishal Babasaheb ◽  
Kulkarni Vaishali Chandrashekhar ◽  
Menkudale Amruta Chandrakant ◽  
Otari Kishor Vasant
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Molecular Biology ◽  
Drug Design ◽  
Three Dimensional ◽  
Important Application ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Essential Components ◽  
Structural Databases

Molecular docking is computational modeling of structure complexes formed by two or more interacting molecule. The goal of molecular docking is prediction of three dimensional structure of interest. Molecular docking software mostly used in drug improvement. Molecules and effortless entrance to structural databases has befallen essential mechanism. Molecular Docking provide a collection of expensive tools for drug design and analysis. Simple prophecy of molecules and easy way in to structural databases has become essential components on the desktop of the medicinal chemist. The most important application of molecular docking is virtual screening. A variety of docking programs were residential to imagine the three dimensional structure of the molecule and docking gain can also be analyze with the assist of dissimilar computational methods. Molecular docking is a key tool in structural molecular biology and computer-assist drug design. Docking can be worn to execute virtual screening on large libraries of compounds, rank the results, and suggest structural hypotheses of how the ligands reduce the target, which is precious in lead optimization.

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