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Computational Chemistry Grid
Results: 24

#	Item
11	Using a private desktop grid system for accelerating drug discovery Add to Reading List Source URL: boinc.berkeley.edu Language: English - Date: 2014-10-05 11:25:32 Computing Cheminformatics Computational chemistry Workflow technology GUSE 3G Bridge Molecular descriptor Berkeley Open Infrastructure for Network Computing MTA SZTAKI Laboratory of Parallel and Distributed Systems Grid computing Concurrent computing Science
12	Variable Grid Urban Airshed Modeling System (UAM-V, UAM-VPM) Reference Systems Applications International, 1999. User’s Guide to the Variable-Grid Urban Airshed Model (UAM-V), Systems Applications International, Inc./I Add to Reading List Source URL: www.epa.gov Language: English - Date: 2000-06-22 09:38:10 Pollutants Smog Air dispersion modeling Computational science Ozone depletion Air pollution Tropospheric ozone Computer simulation Ozone Pollution Chemistry Environment
13	Implementation and Characterization of Protein Folding on a Desktop Computational Grid Is CHARMM a suitable candidate for the United Devices MetaProcessor? B. Uk1 , M. Taufer1 , T. Stricker1 , G. Settanni2 , A. Cavalli2 Add to Reading List Source URL: www.cs.inf.ethz.ch Language: English - Date: 2002-11-08 12:09:13 Science Molecular modelling Computational chemistry Bioinformatics Proteins Folding@home Molecular dynamics Protein folding Parallel computing Chemistry Protein structure Biology
14	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
15	The Virtual Laboratory: a toolset to enable distributed molecular modelling for drug design on the World-Wide Grid Add to Reading List Source URL: www.buyya.com Language: English - Date: 2004-02-16 23:54:15 Drug discovery Computing Medicinal chemistry Molecular modelling Protein structure Docking Nimrod Grid computing Chemical database Chemistry Science Computational chemistry
16	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
17	Journal of Computational Physics[removed]–85 www.elsevier.com/locate/jcp A pseudo-spectral multiscale method: Interfacial conditions and coarse grid equations Shaoqiang Tang Add to Reading List Source URL: users.cms.caltech.edu Language: English - Date: 2006-02-03 20:15:35 Thorn Science Computational chemistry Molecular dynamics Molecular modelling
18	Journal of Computational Physics 149, 389–[removed]Article ID jcph[removed], available online at http://www.idealibrary.com on Using a Curvilinear Grid to Construct Symmetry-Preserving Discretizations for Lagrangian Add to Reading List Source URL: cnls.lanl.gov Language: English - Date: 2014-09-24 19:04:06 Symmetry Curvilinear coordinates Regular grid Crystal structure Polygon Lagrangian Physics Geometry Chemistry
19	Article pubs.acs.org/JCTC Inﬂuence of Grid Spacing in Poisson−Boltzmann Equation Binding Energy Estimation Robert C. Harris,‡ Alexander H. Boschitsch,§ and Marcia O. Fenley,† Add to Reading List Source URL: www.continuum-dynamics.com Language: English* - Date: 2014-01-17 11:17:14 Protein structure Molecular dynamics Solutions Molecular mechanics Accessible surface area Solvation Implicit solvation Chemistry Computational chemistry Molecular modelling
20	The Virtual Laboratory: a toolset to enable distributed molecular modelling for drug design on the World-Wide Grid Add to Reading List Source URL: www.cloudbus.org Language: English - Date: 2004-02-16 23:54:15 Drug discovery Computing Medicinal chemistry Molecular modelling Protein structure Docking Nimrod Grid computing Chemical database Chemistry Science Computational chemistry