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Computational chemistry
Results: 1931

#	Item
361	Modelling the influence of filter structure on efficiency and pressure drop in knitted filters Add to Reading List Source URL: www.mssanz.org.au Language: English - Date: 2013-01-15 22:41:48 Chemical engineering Nonwoven fabric Oil filter Respirator Filtration Air filter Electronic filter Knitting Computational fluid dynamics Filters Chemistry Technology
362	Good and Su Genome Biology 2011, 12:135 http://genomebiology.comRESEARCH HIGHLIGHT Games with a scientific purpose Add to Reading List Source URL: www.genomebiology.com Language: English Science Protein folding Bioinformatics Puzzle video games Computational biology Foldit Human-based computation game David Baker Folding Biology Protein structure Chemistry
363	Microsoft PowerPoint - 2011_02_14_FOS_Rodney_Bartlett.pptx Add to Reading List Source URL: computerlectures.pnnl.gov Language: English - Date: 2011-01-27 15:18:04 Physics Quantum mechanics Computational chemistry ACES University of Florida Rodney J. Bartlett Ab initio quantum chemistry methods Quantum chemistry Schrödinger equation Chemistry Theoretical chemistry Science
364	Krallinger et al. Journal of Cheminformatics 2015, 7(Suppl 1):S1 http://www.jcheminf.com/content/7/S1/S1 RESEARCH Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Bioinformatics Data mining Information science BioCreative Named-entity recognition Chemical database Biomedical text mining Chemistry Text mining Science Computational linguistics Natural language processing
365	Pippel et al. Journal of Cheminformatics 2012, 4(Suppl 1):F3 http://www.jcheminf.com/content/4/S1/F3 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Medicinal chemistry Bioinformatics Molecular modelling Computational chemistry Docking Virtual screening Cheminformatics DOCK Pharmacophore Chemistry Science Drug discovery
366	Profs. Gruss und Bai Add to Reading List Source URL: english.cas.cn Language: English - Date: 2014-12-19 11:28:44 Cell biology Max Planck Society Partner Institute for Computational Biology Peter Gruss Chinese Academy of Sciences Max Planck Institute for Biophysical Chemistry Max Planck Lu Yongxiang Science and technology in Germany Germany Biology
367	Nagoya University Theoretical Chemistry Colloquium May 1, 2014 (Thu), 16:00-17:00 RCMS, 2nd floor, Chemistry Gallery Rational design of InhA inhibitors as highly potential antitubercular agents, based on computer aided m Add to Reading List Source URL: www.rcms.nagoya-u.ac.jp Language: English - Date: 2015-04-17 00:32:01 Computational chemistry Enzyme inhibitor Enzymes Diphenyl ether Mycolic acid Molecular dynamics Enzyme Chemistry Metabolism Medicinal chemistry
368	Advanced Review Geometry optimization H. Bernhard Schlegel∗ Geometry optimization is an important part of most quantum chemical calculations. This article surveys methods for optimizing equilibrium geometries, locatin Add to Reading List Source URL: chem.wayne.edu Language: English - Date: 2011-08-23 22:02:14 Computational chemistry Quantum chemistry Multivariable calculus Molecular physics Operations research Hessian matrix Mathematical optimization Transition state Quasi-Newton method Chemistry Mathematics Numerical analysis
369	Title: COSMOsim3D for drug-similarity, alignment, and COSMOsar3D for molecular field analysis Christoph Loschen, ACS, San Diego, CA, March 26, 2012, 1:35PM to 2:10PM Abstract Body: By the practical success of the COSMO-R Add to Reading List Source URL: www.cacheresearch.com Language: English - Date: 2012-01-20 20:19:25 Science Computational chemistry Nature Crystal Solubility Chemistry
370	Introduction to climate dynamics and climate modelling - http://www.climate.be/textbook Chapter 3. Modelling the climate system 3.1 IntroductionWhat is a climate model ? In general terms, a climate model could be Add to Reading List Source URL: www.climate.be Language: English - Date: 2012-05-10 05:39:51 Computational science Climate forcing Global climate model Global warming Climate model Climate CCCma Atmospheric chemistry Atmospheric model Atmospheric sciences Climatology Meteorology

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