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Computational chemistry
Results: 1931

#	Item
971	Microsoft PowerPoint - 13-Ertl-NavigationInChemistrySpace-Heidelberg.pptx Add to Reading List Source URL: www.biomedbridges.eu Language: English - Date: 2013-12-16 03:54:39 Cheminformatics Computational chemistry Medicinal chemistry Pharmacology Drug discovery Molecular descriptor Novartis Chemical substance Molecular property Science Pharmaceutical sciences Chemistry
972	Corners In November of 2014 the American Society for Cellular and Computational Toxicology held its 3rd annual scientific and business meeting, Where Chemistry and Biology Meet: AOPs as a Framework for Advancing Toxicol Add to Reading List Source URL: www.altex.ch Language: English - Date: 2015-01-19 02:40:33 Animal testing Animal rights Laboratory techniques Toxicology In vitro toxicology Alternatives to animal testing Center for Alternatives to Animal Testing High-throughput screening Ex vivo Science Scientific method Biology
973	NINA JELIAZKOVA IdeaConsult Ltd. Sofia, Bulgaria www.ideaconsult.net IDEACONSULT LTD. Add to Reading List Source URL: www.opentox.org Language: English - Date: 2014-02-05 06:34:43 Medicinal chemistry Pharmacology Quantitative structure–activity relationship Science AMBIT Representational state transfer Computing Cheminformatics Computational chemistry Chemistry
974	Journal of Computational Physics xxx[removed]xxx–xxx Contents lists available at SciVerse ScienceDirect Journal of Computational Physics journal homepage: www.elsevier.com/locate/jcp Add to Reading List Source URL: www.cse-lab.ethz.ch Language: English - Date: 2013-02-07 13:15:17 Probability and statistics Monte Carlo methods Statistical mechanics Computational physics Computational chemistry Stochastic simulation Gillespie algorithm Kinetic Monte Carlo Static single assignment form Stochastic processes Statistics Applied mathematics
975	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
976	ATLA 41, 49–64, [removed]Evaluation of CADASTER QSAR Models for the Aquatic Toxicity of (Benzo)triazoles and Prioritisation by Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2013-06-27 14:14:40 Chemistry Pharmacology Medicinal chemistry Computational chemistry Quantitative structure–activity relationship Applicability Domain Molecular descriptor Economic model Cross-validation Cheminformatics Statistics Science
977	Dissemination of information in CADASTER project Igor V. Tetko Helmholtz Zentrum München, Germany CADASTER workshop on a use of alternative methods in REACH Maribor, September 2nd, 2011 Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-05-31 11:35:45 Computational chemistry Medicinal chemistry Pharmacology Quantitative structure–activity relationship Chemistry Root-mean-square deviation ICANN Statistics Science Cheminformatics
978	Applicability domain of QSAR models: status quo and perspec9ves Iurii Sushko 8 October 2012 Introduc)on Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-11-05 12:45:20 Chemistry Science Computational chemistry Quantitative structure–activity relationship Pharmacology Cheminformatics Medicinal chemistry
979	M.Taufer, E. Perathoner, A. Cavalli, A. Caflisch, T. Stricker Is there any easy parallelism in CHARMM? Performance Characterization of a Add to Reading List Source URL: www.cs.inf.ethz.ch Language: English - Date: 2002-04-25 04:54:29 Molecular modelling Force fields CHARMM Harvard University Parallel computing Molecular dynamics Computer cluster Molecular mechanics MPICH Chemistry Computational chemistry Science
980	October 9 -‐ München Laura Golsteijn M Sarfraz Iqbal Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-11-05 12:45:18 Cheminformatics Computational chemistry Medicinal chemistry Pharmacology Quantitative structure–activity relationship Emission spectrum Physics Chemistry Science

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