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Computational chemistry
Results: 1931

#	Item
31	Genome Informatics 11: 205–MIAX: A System for Assessment of Macromolecular Interaction. 3) A Parallel Hybrid GA for Flexible Add to Reading List Source URL: www.jsbi.org Language: English - Date: 2001-02-21 03:53:00 Chemistry Biology Nature Bioinformatics Molecular modelling Protein structure Computational chemistry Molecular physics Docking Macromolecular docking Actin Proteinprotein interaction
32	Microsoft Word - 9th BIT Syposium ScheduleF.docx Add to Reading List Source URL: www.igb.uci.edu Language: English - Date: 2013-02-12 18:02:46 Biology Chemistry Biochemistry Molecular biology Fellows of the American Association for the Advancement of Science Pierre Baldi Computational chemistry DNA Bioinformatics ChIP-sequencing Baldi Epigenetics
33	ODYSSEY Molecular Explorer Platforms Windows OS X Molecular Dynamics Add to Reading List Source URL: www.wavefun.com Language: English - Date: 2015-12-09 17:49:59 Chemistry Nature Chemical bonding Quantum chemistry Computational chemistry Stereochemistry Molecular modelling Atomic orbital Molecular dynamics Molecular orbital Crystal Molecule
34	Eur. Phys. J. D 10, 353–THE EUROPEAN PHYSICAL JOURNAL D EDP Sciences c Societ` Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2001-11-05 04:12:04 Chemistry Computational chemistry Spectroscopy Quantum chemistry Molecular physics Theoretical chemistry Molecular dynamics Energy level
35	Successful Nontarget2016 conference: Non-target screening of organic chemicals for a comprehensive environmental risk assessment Identification of unknown compounds in the natural and engineered aquatic environment was t Add to Reading List Source URL: nontarget2016.ch Language: English - Date: 2016-06-22 03:15:39 Cheminformatics Computational chemistry Drug discovery Swiss Federal Institute of Aquatic Science and Technology Switzerland
36	Chemical Similarity based on Graph Edit Distance: Efficient Implementation and the Challenges of Evaluation Roger Sayle, John May, Noel O’Boyle, Andrew Grant, Stefan Senger and Darren Green Add to Reading List Source URL: cisrg.shef.ac.uk Language: English - Date: 2016-07-22 08:23:17 Drug discovery Cheminformatics Computational chemistry Chemical similarity Chemistry Mathematics Nature Local government in England Graph edit distance Sheffield Edit distance Similarity
37	10 DFT-based Green Function Approach for Impurity Calculations Rudolf Zeller Institute for Advanced Simulation Forschungszentrum Julich GmbH Add to Reading List Source URL: www.cond-mat.de Language: English - Date: 2012-08-20 13:43:10 Physics Quantum mechanics Mathematical analysis Condensed matter physics Computational chemistry Crystal Density functional theory Electronic band structure Wannier function Degenerate energy levels Wave function Perturbation theory
38	CS681: Advanced Topics in Computational Biology Week 2, Lecture 1 Can Alkan EA224 Add to Reading List Source URL: www.cs.bilkent.edu.tr Language: English - Date: 2012-02-15 09:55:51 Microarrays Biology Biochemistry Chemistry DNA microarray Affymetrix Genotyping Gene expression profiling Gene expression SNP array
39	Journal of Machine Learning Research–72 Submitted 10/01; Published 7/02 On the Convergence of Optimistic Policy Iteration John N. Tsitsiklis Add to Reading List Source URL: www.ai.mit.edu Language: English - Date: 2002-07-14 17:41:00 Computational science Numerical analysis Applied mathematics Computational chemistry Constraint algorithm Dynamic programming Reinforcement learning
40	Local scale - postprocessing and advanced methods. Polyphemus Training Session November 7, 2008 About Purpose: Local scale simulations: postprocessing and plume-in-grid simulations. Add to Reading List Source URL: cerea.enpc.fr Language: English - Date: 2008-11-26 10:41:01 Operations research Simulation Atmospheric dispersion modeling Computational science Computational chemistry Molecular modelling

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