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Computational chemistry
Results: 1931

#	Item
491	The well-tempered ensemble Prof. Michele Parrinello ETH Zürich, Department of Chemistry and Applied Biosciences, Computational Science, USI-Campus, Via Giuseppe Buffi 13, 6900 Lugano, Switzerland In order to alleviate t Add to Reading List Source URL: www.iccs-meeting.org Language: English - Date: 2014-05-21 12:06:50 Science Computational chemistry Metadynamics Theoretical chemistry Canonical ensemble Michele Parrinello Statistical ensemble Parallel tempering Partition function Molecular dynamics Chemistry Physics
492	Some computational algorithms used in SHELX IUCr Montreal, 12th August 2014 What is an algorithm ? An algorithm is a way of calculating something that even the person who Add to Reading List Source URL: shelx.uni-ac.gwdg.de Language: English - Date: 2014-09-09 03:03:22 Materials science Mineralogy Matrix Chemistry Crystallography Crystal structure
493	Bioorganic & Medicinal Chemistry Letters–3992 Identifying Inhibitors of the SARS Coronavirus Proteinase Ekachai Jenwitheesuk and Ram Samudrala* Computational Genomics Group, Department of Microbiology, Add to Reading List Source URL: www.ram.org Language: English - Date: 2015-04-27 23:15:02 Biochemistry Enzymes Metabolism HIV/AIDS Protease inhibitor AutoDock Protease SARS coronavirus Coronavirus Chemistry Biology Nidovirales
494	Skipping Steps in Deformable Simulation with Online Model Reduction Theodore Kim1,2 University of Saskatchewan1 Doug L. James2 Cornell University2 Add to Reading List Source URL: www.mat.ucsb.edu Language: English - Date: 2012-03-13 17:07:09 Computational physics Computational chemistry Molecular dynamics Numerical analysis Operations research Simulation Constraint algorithm Integrator Numerical integration Computational science Mathematics Science
495	Microsoft PowerPoint - ahpcs2012_stone [Compatibility Mode] Add to Reading List Source URL: www.ks.uiuc.edu Language: English - Date: 2012-06-08 11:08:29 Computational chemistry Bioinformatics Visual Molecular Dynamics Molecular modelling Computer graphics Tachyon Molecular dynamics Visualization BALL Science Application software Software
496	Acronyms 3dvar - Three-Dimensional Variational Data-Assimilation system 4dvar - Four Dimensional Variational Data-Assimilation system ace - Aerosol Characterisation Experiment ace - Atmospheric Chemistry Explorer Add to Reading List Source URL: www.knmi.nl Language: English - Date: 2005-06-29 11:08:24 European Space Agency Computational science Weather prediction Environmental chemistry Ozone Monitoring Instrument Royal Netherlands Meteorological Institute European Centre for Medium-Range Weather Forecasts EUMETSAT Global climate model Atmospheric sciences Meteorology Earth
497	CCP4 NEWSLETTER ON PROTEIN CRYSTALLOGRAPHY An informal Newsletter associated with the BBSRC Collaborative Computational Project No. 4 on Protein Crystallography. Number 49 Add to Reading List Source URL: www.ccp4.ac.uk Language: English - Date: 2013-07-18 05:34:42 System software Cross-platform software Crystallography CCP4 Software distribution MRC Coot Package management system Installation Software Computing Computational chemistry
498	Fighting HIV with GPU-Accelerated Petascale Computing John E. Stone Theoretical and Computational Biophysics Group Beckman Institute for Advanced Science and Technology Add to Reading List Source URL: www.ks.uiuc.edu Language: English Computer hardware GPGPU Video cards Molecular modelling NAMD Computational chemistry CUDA Beckman Institute University of Illinois at Urbana–Champaign Graphics hardware Computing Science
499	Microsoft PowerPoint - gtc2012_stone [Compatibility Mode] Add to Reading List Source URL: www.ks.uiuc.edu Language: English Graphics hardware GPGPU Visual Molecular Dynamics Molecular modelling Computational chemistry Video cards CUDA Bioinformatics Beckman Institute Science Champaign County Illinois Computer hardware
500	FACULTY OF SCIENCE UNIVERSITY OF COPENHAGEN Bacheloropgave Simon Brink Add to Reading List Source URL: cmt.nbi.ku.dk Language: English - Date: 2015-05-02 08:42:47 Chemical bonding Theoretical chemistry Computational chemistry Atomic physics Molecular orbital Antibonding Chemical bond Atomic orbital Linear combination of atomic orbitals Chemistry Physics Quantum chemistry

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