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Computational chemistry
Results: 1931

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261	myPrestoin silico screening - USER MANUAL Version 1.0 Add to Reading List Source URL: www.jbic.or.jp Language: English - Date: 2014-08-26 04:21:23 Protein structure Drug discovery Molecular modelling Computational chemistry Docking Macromolecular docking In silico Virtual screening Protein–protein interaction prediction Bioinformatics Chemistry Science
262	ER-flow Application Description Template Name: TD UNI Type: workflow Application domain: Computational chemistry, quantum chemistry Add to Reading List Source URL: www.erflow.eu Language: English Time-dependent density functional theory Computing Chemistry UNICORE Disk formatting
263	Our clients Danish style with quality and technological excellence Founded in 1925 in Denmark, Bang & Olufsen is recognized around the world for its distinctive range of quality audio, video and multimedia products. Sø Add to Reading List Source URL: www.camo.com Language: English - Date: 2011-04-08 09:03:04 The Unscrambler Danish design Electronics Bang & Olufsen Statistical methods Regression analysis Statistics Computational chemistry Spectroscopy
264	INPUT DATA FOR RELATIVISTIC ATOMIC PROGRAM MCDFGME VJ.P. Desclaux1 15 Chemin du Billery, 38360 SASSENAGE France P. Indelicato2 Laboratoire Kastler Brossel, Add to Reading List Source URL: dirac.spectro.jussieu.fr Language: English - Date: 2005-08-15 08:04:10 Quantum chemistry Theoretical chemistry Molecular physics Computational chemistry Atomic orbital Fortran Electron configuration Hartree–Fock method Fine structure Chemistry Physics Atomic physics
265	Input DescriptionDecember 2014) ********************************* * Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2015-01-22 16:25:52 Quantum chemistry Atomic physics Computational physics Fragment molecular orbital GAMESS Coupled cluster Multi-configurational self-consistent field Electronic correlation Møller–Plesset perturbation theory Chemistry Computational chemistry Theoretical chemistry
266	myPresto 4.2 USER MANUAL Version 1.0 Copyright (CNational Institute of Advanced Industrial Science and Technology (AIST) Add to Reading List Source URL: www.jbic.or.jp Language: English - Date: 2014-08-26 04:21:25 Computational chemistry Theoretical chemistry Drug discovery Bioinformatics Protein structure Cheminformatics In silico Docking Force field Chemistry Science Molecular modelling
267	Published on WebThermochemistry of Arylselanyl Radicals and the Pertinent Ions in Acetonitrile Allan Hjarbæk Holm,† Laura Yusta,† Peter Carlqvist,‡ Tore Brinck,,‡ and Kim Daasbjerg,† Add to Reading List Source URL: www.chm.bris.ac.uk Language: English - Date: 2009-10-27 12:20:09 Physical chemistry Polarizable continuum model Solvation Solvent effects Water Reference electrode Equilibrium chemistry Chemistry Computational chemistry Solutions
268	Chemistry Central Journal Open Access Oral presentation SQUIRRELnovo: de novo design of a PPARα agonist by bioisosteric Add to Reading List Source URL: journal.chemistrycentral.com Language: English Drug discovery Frankfurt Goslar Peroxisome proliferator-activated receptor Biology Science Chemistry Computational chemistry Cheminformatics
269	ER-flow Application Description Template Application Name: CADDSuite – Docking without ligand generation Application domain: Docking Brief description of application Add to Reading List Source URL: www.erflow.eu Language: English Bioinformatics Drug discovery Molecular modelling Protein structure Computational chemistry Docking UNICORE Ligand Workflow Chemistry Science Biology
270	COMMENT EVOLUTION How genes and culture have shaped our ability to cooperate p.29 CHEMISTRY Debating how Add to Reading List Source URL: www-scf.usc.edu Language: English - Date: 2011-08-08 12:42:02 Natural language processing Computational linguistics Artificial intelligence applications Searching Question answering Web search engine Information extraction Watson Search engine indexing Information science Information retrieval Science

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