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Molecular dynamics
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#	Item
691	Theoretical technologies in an “experimental” setting: empirical modeling of proteinic objects and simulation of their dynamics within scientific collaborations around a supercomputer. Frédéric Wieber (Archives Hen Add to Reading List Source URL: philsci-archive.pitt.edu Language: English - Date: 2010-10-07 11:18:22 Molecular modelling Computational chemistry Bioinformatics Biology Molecular dynamics Molecular model Protein folding Chemistry Science Protein structure
692	HS-PS1-7 Students who demonstrate understanding can: HS-PS1-7. Use mathematical representations to support the claim that atoms, and therefore mass, are conserved during a chemical reaction. [Clarification Statement: Emp Add to Reading List Source URL: www.nextgenscience.org Language: English - Date: 2015-01-06 06:12:12 State functions Stoichiometry Molecule Amount of substance Mole Chemical reaction Energy Molecular dynamics Gas Chemistry Science Nature
693	Contents Titan Pays Off 2 Annual Report 2013–2014 Oak Ridge Leadership Computing Facility Add to Reading List Source URL: www.olcf.ornl.gov Language: English - Date: 2015-01-21 13:08:33 Energy Fusion power Tokamaks Alternative energy Titan Princeton Plasma Physics Laboratory Plasma National Center for Computational Sciences Molecular dynamics Physics Fusion reactors Nuclear technology
694	Combining Task- and Data Parallelism to Speed up Protein Folding on a Desktop Grid Platform Is efficient protein folding possible with CHARMM on the United Devices MetaProcessor? 1 Add to Reading List Source URL: www.cs.inf.ethz.ch Language: English - Date: 2002-11-08 12:09:28 Protein structure Parallel computing Molecular modelling Computational chemistry Molecular dynamics Protein folding Task parallelism CHARMM Folding@home Computing Concurrent computing Chemistry
695	Bayesian Inference of Protein Structure from Chemical Shift Data Lars A. Bratholm1 , Anders S. Christensen1,3 , Thomas Hamelryck2 , and Jan H. Jensen1 1 Department Add to Reading List Source URL: peerj.com Language: English - Date: 2014-12-12 14:42:54 Molecular modelling Bioinformatics Protein methods Root-mean-square deviation Normal distribution Molecular dynamics Protein structure prediction Nuclear magnetic resonance Half sphere exposure Statistics Science Protein structure
696	This discussion paper is/has been under review for the journal Atmospheric Chemistry and Physics (ACP). Please refer to the corresponding final paper in ACP if available. Discussion Paper Atmos. Chem. Phys. Discuss., 15 Add to Reading List Source URL: www.atmos-chem-phys-discuss.net Language: English - Date: 2015-01-08 07:55:43 Surface layer Molecular diffusion Dynamics Fluid mechanics Fluid dynamics Flux Metallurgy
697	DEPARTMENT OF ENERGY COMPUTATIONAL SCIENCE GRADUATE FELLOWSHIP DEIXIS THE ANNUAL Add to Reading List Source URL: www.krellinst.org Language: English - Date: 2014-04-30 12:16:31 United States Department of Energy National Laboratories Battelle Memorial Institute Tensor Crystal Molecular dynamics Computational chemistry Computational science Monte Carlo method NWChem Science Computing Chemistry
698	Breakthroughs Contents 3 Scientists Model the Molecular Basis of Parkinson’s Disease Add to Reading List Source URL: www.olcf.ornl.gov Language: English - Date: 2013-01-12 14:49:43 Peripheral membrane proteins Molecular modelling Bioinformatics Computational chemistry Neurodegeneration Synuclein Alpha-synuclein Molecular dynamics Protein folding Biology Chemistry Protein structure
699	BCAS Vol.28 No[removed]Life Science Add to Reading List Source URL: english.cas.cn Language: English - Date: 2014-12-19 11:28:41 Helices DNA Genetics Scattering Molecular dynamics Science Physics Computational chemistry Chemistry Molecular modelling
700	SCIENCE at the PETASCALE 2009 Pioneering Applications Point the Way Add to Reading List Source URL: www.olcf.ornl.gov Language: English - Date: 2013-01-12 14:49:44 Computational chemistry Supercomputers Molecular modelling Bioinformatics Intermolecular forces Molecular dynamics Petascale Hydronium Hydrogen bond Chemistry Science Computing

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