Computational chemistry - PDFSEARCH.IO - Document Search Engine

Computational chemistry
Results: 1931

#	Item
951	www.cadaster.eu CADASTER Workshop on the use of QSAR models in REACH First Cadaster (www.cadaster.eu) workshop will be organized in Maribor, Slovenia, as a part of CMPTI conference (http://cmtpi-2011.si) and will take p Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-05-31 11:34:59 Pharmacology Cheminformatics Risk Computational chemistry Quantitative structure–activity relationship Pharmacokinetics Netherlands National Institute for Public Health and the Environment Risk assessment ADME Medicinal chemistry Science Chemistry
952	Molecular Simulation as a Tool for Studying Lignin Amandeep K. Sangha,a,b Loukas Petridis,a,b Jeremy C. Smith,a,b,c Angela Ziebell,d,e and Jerry M. Parksa,b a UT/ORNL Center for Molecular Biophysics, Oak Ridge National L Add to Reading List Source URL: bioenergycenter.org Language: English - Date: 2012-01-12 17:35:52 Phenylpropanoids Polysaccharides Computational chemistry Lignin Lignocellulosic biomass Biomolecule Sinapyl alcohol Coniferyl alcohol Caffeic acid Chemistry Monolignols Papermaking
953	Microsoft Word - Deliverable 3.5.doc Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-12-07 08:58:48 Medicinal chemistry Pharmacology Computational chemistry Mathematical chemistry Quantitative structure–activity relationship Applicability Domain Molecular descriptor Linear regression Brominated flame retardant Chemistry Cheminformatics Science
954	EPA’s Computational Toxicology Research Program Thomas B. Knudsen, PhD National Center for Computational Toxicology The views expressed in this presentation are those of the author[s] and do not necessarily reflect Add to Reading List Source URL: www.axlr8.eu Language: English - Date: 2012-06-26 09:50:20 Cheminformatics Equilibrium chemistry Partition coefficient Solvents Octanol Assay Polar surface area Complexity Chemistry Science Medicinal chemistry
955	Diffusion, Crowding & Protein Stability in a Dynamic Molecular Model of the Bacterial Cytoplasm Sean R. McGuffee¤, Adrian H. Elcock* Department of Biochemistry, University of Iowa, Iowa City, Iowa, United States of Amer Add to Reading List Source URL: www.agnld.uni-potsdam.de Language: English - Date: 2014-06-10 04:41:39 Biochemistry Computational chemistry Molecular biology Proteins Molecular dynamics Molecular modelling Green fluorescent protein Protein folding Periodic boundary conditions Biology Chemistry Protein structure
956	Journal of Computational Physics[removed]–2681 Contents lists available at SciVerse ScienceDirect Journal of Computational Physics journal homepage: www.elsevier.com/locate/jcp Add to Reading List Source URL: www.cse-lab.ethz.ch Language: English - Date: 2013-02-13 09:19:10 Computational fluid dynamics Computational physics Molecular modelling Multiscale modeling Dissipative particle dynamics Molecular dynamics Carbon nanotube Fullerene Scientific modelling Chemistry Matter Physics
957	Microsoft Word - Deliverable 5.6.doc Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-06-08 11:04:46 Pharmaceutical sciences Chemistry Pharmacology Computational chemistry Quantitative structure–activity relationship Pharmacokinetics In silico Applicability Domain ADME Medicinal chemistry Science Cheminformatics
958	Implementation and Characterization of Protein Folding on a Desktop Computational Grid Is CHARMM a suitable candidate for the United Devices MetaProcessor? B. Uk1 , M. Taufer1 , T. Stricker1 , G. Settanni2 , A. Cavalli2 Add to Reading List Source URL: www.cs.inf.ethz.ch Language: English - Date: 2002-11-08 12:09:13 Science Molecular modelling Computational chemistry Bioinformatics Proteins Folding@home Molecular dynamics Protein folding Parallel computing Chemistry Protein structure Biology
959	Demonstraon of tools developed in Cadaster Igor V. Tetko and Iurii Sushko! Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH) and eADMET GmbH! Add to Reading List Source URL: www.cadaster.eu Language: English* - Date: 2012-10-25 08:47:20 Medicinal chemistry Pharmacology Quantitative structure–activity relationship Science Software Microsoft Excel Cheminformatics Computational chemistry Chemistry
960	1 CADASTER CAse studies on the Development and Application of in-Silico Techniques for Environmental hazard and Risk assessment Grant agreement no.: 212668 Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-05-31 11:35:10 Cheminformatics Pharmacology Medicinal chemistry Risk management Computational chemistry Quantitative structure–activity relationship Sensitivity analysis Risk assessment Uncertainty Science Knowledge Probability

UPDATE