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Computational chemistry
Results: 1931

#	Item
991	05471 Abstracts Collection Computational Proteomics Dagstuhl Seminar 1 Add to Reading List Source URL: drops.dagstuhl.de Language: English - Date: 2006-05-05 04:41:20 Analytical chemistry Proteomics Bioinformatics Liquid chromatography–mass spectrometry OpenMS Peptide mass fingerprinting Matrix-assisted laser desorption/ionization Shotgun proteomics Sample preparation in mass spectrometry Chemistry Mass spectrometry Laboratory techniques
992	Manuscript Click here to view linked References Inhibition of quorum sensing in a computational biofilm simulation J.A. Fozardb,1,∗, M. Leesb,2 , J.R. Kinga , B.S. Loganb Add to Reading List Source URL: www.cs.nott.ac.uk Language: English - Date: 2012-03-05 08:19:16 Biofilm Quorum sensing Pseudomonas aeruginosa Autoinducer N-Acyl homoserine lactone Virulence Communication Pseudomonas Chemistry of biofilm prevention Biology Microbiology Bacteria
993	Chapter 5 Reinforcement There is no programmer for the brain but instead it can guess programs that are evaluated in terms of how they fulfill the animal’s needs. A neurotransmitter dopamine is the currency used to do Add to Reading List Source URL: www.cs.utexas.edu Language: English - Date: 2007-09-03 14:37:40 Learning Computational neuroscience Behaviorism Catecholamines Dopamine Neurotransmitters Reinforcement learning Temporal difference learning Reinforcement Medicine Chemistry Mind
994	Functional Analysis of Metabolic Channeling and Regulation in Lignin Biosynthesis: A Computational Approach Yun Lee1,2, Luis Escamilla-Trevin˜o2,3, Richard A. Dixon2,3, Eberhard O. Voit2,4* 1 The Interdisciplinary Bioen Add to Reading List Source URL: bioenergycenter.org Language: English - Date: 2012-11-13 09:40:09 Lignin Papermaking Metabolism Coniferyl alcohol Sinapyl alcohol Enzyme Medicago Chemistry Phenylpropanoids Monolignols
995	Journal of Molecular Liquids[removed]–113 Contents lists available at ScienceDirect Journal of Molecular Liquids journal homepage: www.elsevier.com/locate/molliq Add to Reading List Source URL: www.cse-lab.ethz.ch Language: English - Date: 2014-09-01 07:51:12 Molecular modelling Condensed matter physics Colloidal chemistry Silicon dioxide Water model Properties of water Colloid Solubility Force field Chemistry Water Computational chemistry
996	Opportunities for Discovery: Theory and Computation in Basic Energy Sciences Add to Reading List Source URL: science.energy.gov Language: English - Date: 2010-12-29 10:30:55 Physics Computational science Courant Institute of Mathematical Sciences Science Computation Chemistry Academia Theoretical computer science Mathematics Computer science
997	A Molecular Mechanics Force Field for Lignin LOUKAS PETRIDIS, JEREMY C. SMITH Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, Tennessee[removed]Received 14 February 2008; Revised 8 May 2008; Acce Add to Reading List Source URL: bioenergycenter.org Language: English - Date: 2010-03-24 12:00:30 Intermolecular forces Molecular physics Force fields CHARMM Molecular dynamics Ether MBTA crosstown bus routes Lignin Molecular mechanics Chemistry Molecular modelling Computational chemistry
998	BMC Bioinformatics BioMed Central Open Access Add to Reading List Source URL: www.ncbi.nlm.nih.gov Language: English Chemistry Biology Protein structure Computational phylogenetics Protein secondary structure Stereochemistry Threading Homology modeling CASP Bioinformatics Science Protein methods
999	ALCC (2012 – 2013) Project Highlights Projections of Ice Sheet Evolution Using Advanced Ice and Ocean Models • Goal: Dramatically improve fidelity of Add to Reading List Source URL: science.energy.gov Language: English - Date: 2014-11-12 11:37:47 Protein structure Molecular dynamics Catalysis Intermolecular forces Enzyme catalysis Simulation Enzyme Computer simulation Scientific modelling Chemistry Molecular modelling Computational chemistry
1000	Hindawi Publishing Corporation Journal of Atomic, Molecular, and Optical Physics Volume 2012, Article ID[removed], 14 pages doi:[removed][removed]Review Article Add to Reading List Source URL: downloads.hindawi.com Language: English - Date: 2014-05-08 04:22:25 Chemical kinetics Theoretical chemistry Kinetic Monte Carlo Energy Transition state Metastability Metadynamics Periodic boundary conditions Protein folding Chemistry Computational chemistry Molecular dynamics