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Computational chemistry
Results: 1931

#	Item
831	Cosponsored symposia Pushing the Envelope (PHYS): Theresa Windus & Mark Gordon Reduced Density Matrices in Quantum Chemistry and Physics (PHYS): David Add to Reading List Source URL: www.exeresearch.com Language: English - Date: 2012-03-26 07:02:54 Proteomics Protein structure Drug discovery Computational chemistry Theoretical chemistry DIMA High-throughput screening Chemical Computing Group Science Chemistry Biology
832	Simulations of Crowding, Confinement, and Cellular Environments: Michael Feig Understanding and Predicting the Role of Water in Drug Design: Jean-François Truchon, Raul Alvarez & Vijay Pande Cosponsored symposia Add to Reading List Source URL: www.exeresearch.com Language: English - Date: 2012-08-16 11:54:30 Computational chemistry Force field Implicit solvation Molecular dynamics Drug design Chemistry Molecular modelling Science
833	Akhondi et al. Journal of Cheminformatics 2015, 7(Suppl 1):S10 http://www.jcheminf.com/content/7/S1/S10 RESEARCH Open Access Add to Reading List Source URL: www.jcheminf.com Language: English American Chemical Society Natural language processing Information retrieval Named-entity recognition F1 score Chemistry ChemSpider Chunking Precision and recall Science Computational linguistics Chemical databases
834	MAX PLANCK SOCIETY Press Release News FPNovember 17th, 2005 Add to Reading List Source URL: www.pa.op.dlr.de Language: English - Date: 2005-12-04 12:56:57 Scientific modeling Max Planck Society Climate model Max Planck Institute for Chemistry Max Planck Computer simulation Simulation Scientific modelling Modularity Science Computational science Germany
835	Hydrol. Earth Syst. Sci., 12, 383–392, 2008 www.hydrol-earth-syst-sci.net/ © Author(sThis work is licensed under a Creative Commons License. Hydrology and Add to Reading List Source URL: www.hydrol-earth-syst-sci.net Language: English - Date: 2014-12-04 02:19:52 Effects of global warming Global warming Environmental chemistry Climate forcing Computational science Global climate model Acid rain Carbon dioxide Regional effects of global warming Chemistry Atmospheric sciences Environment
836	Openness as infrastructure Add to Reading List Source URL: www.jcheminf.com Language: English Pharmaceutical sciences Computational chemistry Pharmacology Drug discovery Cheminformatics Quantitative structure–activity relationship Drug design Matrix metalloproteinase Structure–activity relationship Chemistry Medicinal chemistry Science
837	221 Modelling and Prediction of Toxicity of Environmental Pollutants Frank Lemke1, Johann-Adolf Müller1, and Emilio Benfenati2 1 Add to Reading List Source URL: www.knowledgeminer.com Language: English - Date: 2004-11-29 23:17:00 Mathematics Pharmacology Computational chemistry Group method of data handling Quantitative structure–activity relationship Scientific modelling Mathematical model Model Molecular descriptor Statistics Science Cheminformatics
838	Microsoft Word - Relenza_PM _2012-05-29_.doc Add to Reading List Source URL: www.gsk.ca Language: English - Date: 2012-06-25 09:55:50 Guanidines Medicine Computational chemistry GlaxoSmithKline Zanamivir Pulmonology Influenza Antiviral drug Asthma Neuraminidase inhibitors Chemistry Acetamides
839	Additional background material on the Nobel Prize in Chemistry 1998 The Royal Swedish Academy of Sciences has decided to award the 1998 Nobel Prize in Chemistry with one half to Professor WALTER KOHN, University of Calif Add to Reading List Source URL: www.nobelprize.org Language: English - Date: 2012-05-11 07:22:51 Quantum chemistry Hartree–Fock method Crystal Density functional theory Ab initio quantum chemistry methods John Pople Semi-empirical quantum chemistry method Gaussian Walter Kohn Chemistry Theoretical chemistry Computational chemistry
840	Course Enquiry CHEM2504 Physical chemistry I: introduction to quantum chemistry (6 credits) Academic Year 2014 Add to Reading List Source URL: www.chemistry.hku.hk Language: English - Date: 2014-08-13 22:25:51 Computational chemistry Theoretical chemistry Critical thinking Learning Philosophy of education Thought Hartree–Fock method Quantum mechanics Logic Science Chemistry Education

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