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Title: Simulating Biomolecules on the Petascale Supercomputers

Abstract

Computing continues to make a signicant impact on biology. A variety of computational techniques have allowed rapid developments in design of experiments as well as collection, storage and analysis of experimental data. These developments have and are leading to novel insights into a variety of biological processes. The strength of computing in biology, however, comes from the ability to investigate those aspects of biological processes that are either dicult or are beyond the reach of experimental techniques. Particularly in the last 3 decades, availability of increasing computing power has had a signicant impact on the fundamental understanding of the biomolecules at the molecular level. Molecular biochemists and biophysicists, through theoretical multi-scale modeling and computational simulations, have been able to obtain atomistic level understanding of biomolecular structure, dynamics, folding and function. The protein folding problem, in particular, has attracted considerable interest from a variety of researchers and simulation scientists.

Authors:
 [1];  [1];  [1]
  1. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). National Center for Computational Sciences (NCCS)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1014215
DOE Contract Number:  
DE-AC05-00OR22725
Resource Type:
Book
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; 99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; BIOLOGY; COMPUTER CALCULATIONS; DESIGN; PROTEINS; COMPUTERIZED SIMULATION; SUPERCOMPUTERS

Citation Formats

Alam, Sadaf R, Agarwal, Pratul K, and Geist, Al. Simulating Biomolecules on the Petascale Supercomputers. United States: N. p., 2007. Web.
Alam, Sadaf R, Agarwal, Pratul K, & Geist, Al. Simulating Biomolecules on the Petascale Supercomputers. United States.
Alam, Sadaf R, Agarwal, Pratul K, and Geist, Al. 2007. "Simulating Biomolecules on the Petascale Supercomputers". United States.
@article{osti_1014215,
title = {Simulating Biomolecules on the Petascale Supercomputers},
author = {Alam, Sadaf R and Agarwal, Pratul K and Geist, Al},
abstractNote = {Computing continues to make a signicant impact on biology. A variety of computational techniques have allowed rapid developments in design of experiments as well as collection, storage and analysis of experimental data. These developments have and are leading to novel insights into a variety of biological processes. The strength of computing in biology, however, comes from the ability to investigate those aspects of biological processes that are either dicult or are beyond the reach of experimental techniques. Particularly in the last 3 decades, availability of increasing computing power has had a signicant impact on the fundamental understanding of the biomolecules at the molecular level. Molecular biochemists and biophysicists, through theoretical multi-scale modeling and computational simulations, have been able to obtain atomistic level understanding of biomolecular structure, dynamics, folding and function. The protein folding problem, in particular, has attracted considerable interest from a variety of researchers and simulation scientists.},
doi = {},
url = {https://www.osti.gov/biblio/1014215}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Nov 01 00:00:00 EDT 2007},
month = {Thu Nov 01 00:00:00 EDT 2007}
}

Book:
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