THE POTENTIAL OF GRID COMPUTING IN THREE-DIMENSIONAL ELECTRON MICROSCOPY

2004 ◽  
Vol 14 (02) ◽  
pp. 151-162 ◽  
Author(s):  
J. R. Bilbao-Castro ◽  
R. Marabini ◽  
J. M. Carazo ◽  
I. Garcia ◽  
J. J. Fernandez

This article describes a potential application of grid computing in structural biology. Three-dimensional electron microscopy allows the investigation of biological structures over a wide range of sizes, from cells to single macromolecules. Knowledge of the structure is critical to understanding the function of biological specimens. However, high resolution structure determination is computationally intensive. This contribution analyzes the potential benefits of grid computing in this field, and draws the conclusion that there are excellent opportunities to take advantage of computational grids.

2012 ◽  
pp. 881-898
Author(s):  
J.R. Bilbao-Castro ◽  
I. García ◽  
J.J. Fernández

Three-dimensional electron microscopy allows scientists to study biological specimens and to understand how they behave and interact with each other depending on their structural conformation. Electron microscopy projections of the specimens are taken from different angles and are processed to obtain a virtual three-dimensional reconstruction for further studies. Nevertheless, the whole reconstruction process, which is composed of many different subtasks from the microscope to the reconstructed volume, is not straightforward nor cheap in terms of computational costs. Different computing paradigms have been applied in order to overcome such high costs. While classic parallel computing using mainframes and clusters of workstations is usually enough for average requirements, there are some tasks which would fit better into a different computing paradigm – such as grid computing. Such tasks can be split up into a myriad of subtasks, which can then be run independently using as many computational resources as are available. This chapter explores two of these tasks present in a typical three-dimensional electron microscopy reconstruction process. In addition, important aspects like fault-tolerance are widely covered; given that the distributed nature of a grid infrastructure makes it inherently unstable and difficult to predict.


Author(s):  
J.R. Bilbao Castro ◽  
I. Garcia Fernandez ◽  
J. Fernandez

Three-dimensional electron microscopy allows scientists to study biological specimens and to understand how they behave and interact with each other depending on their structural conformation. Electron microscopy projections of the specimens are taken from different angles and are processed to obtain a virtual three-dimensional reconstruction for further studies. Nevertheless, the whole reconstruction process, which is composed of many different subtasks from the microscope to the reconstructed volume, is not straightforward nor cheap in terms of computational costs. Different computing paradigms have been applied in order to overcome such high costs. While classic parallel computing using mainframes and clusters of workstations is usually enough for average requirements, there are some tasks which would fit better into a different computing paradigm – such as grid computing. Such tasks can be split up into a myriad of subtasks, which can then be run independently using as many computational resources as are available. This chapter explores two of these tasks present in a typical three-dimensional electron microscopy reconstruction process. In addition, important aspects like fault-tolerance are widely covered; given that the distributed nature of a grid infrastructure makes it inherently unstable and difficult to predict.


2001 ◽  
Vol 134 (1) ◽  
pp. 35-45 ◽  
Author(s):  
Kouta Mayanagi ◽  
Tomoko Miyata ◽  
Takuji Oyama ◽  
Yoshizumi Ishino ◽  
Kosuke Morikawa

2021 ◽  
Author(s):  
Nicole Dimos ◽  
Carl P.O. Helmer ◽  
Andrea M. Chanique ◽  
Markus C. Wahl ◽  
Robert Kourist ◽  
...  

Enzyme catalysis has emerged as a key technology for developing efficient, sustainable processes in the chemical, biotechnological and pharmaceutical industries. Plants provide large and diverse pools of biosynthetic enzymes that facilitate complex reactions, such as the formation of intricate terpene carbon skeletons, with exquisite specificity. High-resolution structural analysis of these enzymes is crucial to understand their mechanisms and modulate their properties by targeted engineering. Although cryo-electron microscopy (cryo-EM) has revolutionized structural biology, its applicability to high-resolution structure analysis of comparatively small enzymes is so far largely unexplored. Here, we show that cryo-EM can reveal the structures of ~120 kDa plant borneol dehydrogenases at or below 2 Å resolution, paving the way for the fast development of new biocatalysts that provide access to bioactive terpenes and terpenoids.


1998 ◽  
Vol 121 (1) ◽  
pp. 19-29 ◽  
Author(s):  
Jochen Walz ◽  
Annette Erdmann ◽  
Mary Kania ◽  
Dieter Typke ◽  
Abraham J Koster ◽  
...  

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