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Molecular dynamics
Results: 1160

#	Item
681	J. Phys. Chem. B 2011, 115, 389–[removed]QM/MM Free Energy Simulations of Salicylic Acid Methyltransferase: Effects of Stabilization of TS-like Structures on Substrate Speciﬁcity Add to Reading List Source URL: bioenergycenter.org Language: English - Date: 2011-06-08 15:59:44 Flavors Methyl salicylate Salicylates Protein-glutamate O-methyltransferase Salicylic acid Molecular dynamics Ester Methyl group Chemistry Organic chemistry Functional groups
682	Modelling and simulation of the effect of diffusion and flow on growth processes Jaap A. Kaandorp University of Amsterdam, The Netherlands Abstract In this paper a method for modelling nutrient distributions, caused by a Add to Reading List Source URL: cds.cern.ch Language: English - Date: 2009-04-20 12:56:59 Science Diffusion Computational fluid dynamics Statistical mechanics Lattice Boltzmann methods Ludwig Boltzmann Diffusion-limited aggregation Molecular diffusion Gas Physics Transport phenomena Computational physics
683	SciDAC 2008 Journal of Physics: Conference Series[removed][removed]IOP Publishing doi:[removed][removed] Add to Reading List Source URL: bioenergycenter.org Language: English - Date: 2010-03-01 16:52:02 Intermolecular forces Molecular physics Papermaking Force field Lignin CHARMM Molecular dynamics Molecular mechanics Ether Chemistry Molecular modelling Computational chemistry
684	DOC Document Add to Reading List Source URL: www.purdue.edu Language: English Computational chemistry Molecular modelling Bioinformatics California Institute for Quantitative Biosciences University of California San Francisco University of California Santa Cruz Folding@home Vijay Pande Molecular dynamics Software Science Chemistry
685	PRISM Seminar Series – Spring 2011 “Small Length and Time Scale Modeling for Real-World Interface Design” Ashlie Martini Assistant Professor of Mechanical Engineering Purdue University Add to Reading List Source URL: www.purdue.edu Language: English Fluid dynamics Computational chemistry Molecular dynamics Friction Stick-slip phenomenon Compressibility Simulation Scientific modelling Physics Science Molecular modelling
686	Open Research Online The Open University’s repository of research publications and other research outputs Molecular dynamics study of oxygen diffusion in Pr¡sub¿2¡/s Journal Article Add to Reading List Source URL: oro.open.ac.uk Language: English - Date: 2012-11-07 17:28:28 Molecular dynamics Perovskite Oxygen Oxide Chemistry Matter Solid oxide fuel cell
687	An upper limit for macromolecular crowding effects Add to Reading List Source URL: www.biomedcentral.com Language: English Microbiology Tree of life Capsid Cowpea chlorotic mottle virus Molecular dynamics Capsomere Papillomaviridae Monomer Virology Viruses Biology
688	MOLECULAR MODELING OF PROTEINS AND MATHEMATICAL PREDICTION OF PROTEIN STRUCTURE ARNOLD NEUMAIER ∗ Add to Reading List Source URL: www.mat.univie.ac.at Language: English - Date: 2006-03-08 09:42:32 Intermolecular forces Computational chemistry Bioinformatics Protein folding STING Molecular dynamics Turn Conformational isomerism Hydrogen bond Chemistry Protein structure Molecular modelling
689	Tune the autocorrelation time and unleash the full power of the parallel tempering algorithm∗ Institut für Theoretische Physik, Universität Leipzig, Postfach[removed], D[removed]Leipzig, Germany E-mail: elmar.bittner@it Add to Reading List Source URL: pos.sissa.it Language: English - Date: 2009-10-15 16:34:30 Statistical mechanics Heuristics Mathematical physics Theoretical physics Ising model Parallel tempering Autocorrelation Molecular dynamics Spin glass Physics Science Statistics
690	Hindawi Publishing Corporation Journal of Biophysics Volume 2012, Article ID[removed], 7 pages doi:[removed][removed]Research Article Add to Reading List Source URL: downloads.hindawi.com Language: English - Date: 2014-05-08 04:20:36 Physics Statistical mechanics Equations Jarzynski equality Aspirin Hindawi Publishing Corporation Force field Molecular dynamics Chemistry Non-equilibrium thermodynamics Molecular modelling

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