Computational chemistry - PDFSEARCH.IO - Document Search Engine

Computational chemistry
Results: 1931

#	Item
51	Abstract # 2640 Importance of Comprehensive Reporting of (Q)SAR Assessments Under ICH M7 Lidiya Stavitskaya, Barbara L. Minnier, Mark W. Powley, Neil R. Hartman, and Naomi L. Kruhlak FDA Center for Drug Evaluation and R Add to Reading List Source URL: www.leadscope.com Language: English - Date: 2016-01-15 17:48:32 Chemistry Academia Biology Cheminformatics Computational chemistry Drug discovery Medicinal chemistry Quantitative structureactivity relationship Ames test Mutagen IPCC Second Assessment Report Research
52	THE JOURNAL OF CHEMICAL PHYSICS 126, 046101 共2007兲 A common, avoidable source of error in molecular dynamics integrators Ross A. Lippert, Kevin J. Bowers, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L Add to Reading List Source URL: www.deshawresearch.com Language: English - Date: 2010-09-27 16:06:44 Chemistry Computational chemistry Computational science Constraint algorithm Molecular dynamics
53	Computational Aspects in Gene Expression Analysis A thesis submitted in partial fulfillment of the requirements for the degree of Master of Science by Add to Reading List Source URL: www.cs.huji.ac.il Language: English - Date: 2015-08-10 08:23:37 Biology Biochemistry Chemistry Gene expression Molecular biology DNA Microarrays Genetics Gene expression profiling DNA microarray RNA-Seq Enhancer
54	Lecture 2: Finite-volume numericalschemes for RSW. Test/example: geostrophic Add to Reading List Source URL: www.prague-sum.com Language: English - Date: 2014-02-21 08:54:04 Ocean currents Geostrophic current Computational fluid dynamics Fluid dynamics Finite volume method Computational science Chemistry Mechanics
55	New Records inPage 1 Protein Data Bank Changes Guide New Changes in Version 3.15 Add to Reading List Source URL: cdn.wwpdb.org Language: English - Date: 2016-07-21 15:06:48 Biological databases Computational chemistry Protein Data Bank Chemistry Comment
56	ABOUT MANUSCRIPTS FOR IJ ITA Add to Reading List Source URL: foibg.com Language: English - Date: 2015-02-02 08:47:14 Scientific modeling Computational chemistry Computational science Molecular dynamics Molecular modelling Verlet Computer simulation Periodic boundary conditions Energy drift Verlet integration
57	CURRICULUM VITAE (FULL VERSION) May 2016 Thomas E. Cheatham, III Add to Reading List Source URL: home.chpc.utah.edu Language: English - Date: 2016-06-09 14:24:17 Chemistry Biology Nature Computational chemistry Molecular biology DNA Molecular modelling Biomolecules Molecular models of DNA AMBER Cheatham Nucleic acid
58	Title The Euler-Lagrange Approach for Steady and Unsteady Flows Leonard Euler (1707 – 1783) Add to Reading List Source URL: www.prague-sum.com Language: English - Date: 2014-09-03 12:54:43 Fluid dynamics Physics Chemistry Aerodynamics Turbulence Computational fluid dynamics Computational physics NavierStokes equations Turbulence kinetic energy Particle-laden flows Turbulence modeling Fluid mechanics
59	Microsoft Word - 10LiLiangjunFinal_07302013_2141.docx Add to Reading List Source URL: www.ndia-mich.org Language: English - Date: 2013-08-19 09:56:33 Scientific modeling Business Application software Software Computational chemistry Operations research Simulation Simulation software Computer simulation Molecular dynamics Training simulation
60	Lecture 1: Forces on particles and bubbles Martin Sommerfeld Zentrum für Ingenieurwissenschaften, Martin-Luther-Universität Halle-Wittenberg, Halle (Saale), Add to Reading List Source URL: www.prague-sum.com Language: English - Date: 2014-04-28 04:56:29 Fluid dynamics Chemistry Physics Aerodynamics Computational fluid dynamics Colloidal chemistry Aerosols Particle-laden flows Gas Particle size Two-phase flow Stokes number