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Computational chemistry
Results: 1931

#	Item
411	Journal of Cheminformatics 2012, Volume 4 Suppl 1 http://www.jcheminf.com/supplements/4/S1 MEETING ABSTRACTS Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Drug discovery Pharmaceutical sciences Medicinal chemistry Computational chemistry OpenEye Scientific Software Chemical Computing Group Theoretical chemistry Virtual screening Pharmacophore Science Chemistry Cheminformatics
412	Dalke and Hastings Journal of Cheminformatics 2013, 5(Suppl 1):O6 http://www.jcheminf.com/content/5/S1/O6 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English NP-complete problems Cheminformatics Computational chemistry Graph theory Maximum common subgraph isomorphism problem Subgraph isomorphism problem Chemistry Matching Graph isomorphism Mathematics Theoretical computer science Applied mathematics
413	Ciacchi Journal of Cheminformatics 2013, 5(Suppl 1):O10 http://www.jcheminf.com/content/5/S1/O10 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Computational chemistry Intermolecular forces Colloidal chemistry Molecular dynamics Adhesion Force field Metadynamics Simulation Adsorption Chemistry Materials science Molecular modelling
414	Devadoss and Paul Raj Journal of Cheminformatics 2014, 6(Suppl 1):O16 http://www.jcheminf.com/content/6/S1/O16 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Protein structure Computational chemistry Software KNIME Molecular dynamics Thermus aquaticus Protein domain Torsion Biology Chemistry Molecular modelling
415	Openness as infrastructure Add to Reading List Source URL: www.jcheminf.com Language: English Chemical nomenclature Identifiers Computational chemistry Encodings International Chemical Identifier InChI Trust Chemical database Simplified molecular-input line-entry specification ChemSpider Chemistry Science Cheminformatics
416	Sayle et al. Journal of Cheminformatics 2011, 3(Suppl 1):O16 http://www.jcheminf.com/content/3/S1/O16 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Chemical patent Cheminformatics Patent Chemical nomenclature Law Science Patent law Computational chemistry
417	Microsoft Word - Orals_v2.doc Add to Reading List Source URL: netfam.fmi.fi Language: English - Date: 2008-06-16 02:12:58 HIRLAM Computational science Environmental chemistry Atmospheric chemistry Numerical weather prediction Royal Netherlands Meteorological Institute Chemistry Chemist Wind power forecasting Atmospheric sciences Science Meteorology
418	Microsoft Word - Orals_v2.doc Add to Reading List Source URL: netfam.fmi.fi Language: English - Date: 2008-07-16 06:37:13 HIRLAM Computational science Environmental chemistry Atmospheric chemistry Numerical weather prediction Royal Netherlands Meteorological Institute Chemistry Chemist Wind power forecasting Atmospheric sciences Science Meteorology
419	Rarey et al. Journal of Cheminformatics 2013, 5(Suppl 1):O8 http://www.jcheminf.com/content/5/S1/O8 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Drug discovery Ring theory Algebraic structures Ring Cycloalkane Science Mathematics Computational chemistry Cheminformatics Chemistry
420	Klebe Journal of Cheminformatics 2011, 3(Suppl 1):O18 http://www.jcheminf.com/content/3/S1/O18 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Medicinal chemistry Computational chemistry Cheminformatics Pharmacology Drug design Docking Virtual screening Ligand Quantitative structure–activity relationship Chemistry Science Drug discovery

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