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Molecular modelling
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#	Item
11	Mathematical Modelling Cancer Cell Invasion of Tissue: The Roles of Cell Adhesion Vivi Andasari and Mark A.J. Chaplain Division of Mathematics, Mathematical Biology Research Group Continuous Modelling: Partial Differenti Add to Reading List Source URL: people.bu.edu Language: English - Date: 2014-08-07 17:05:00 Cell biology Biology Molecular biology Catenin CDH1 Beta-catenin Cadherin Urokinase Cell adhesion Proteases in angiogenesis
12	Local scale - postprocessing and advanced methods. Polyphemus Training Session November 7, 2008 About Purpose: Local scale simulations: postprocessing and plume-in-grid simulations. Add to Reading List Source URL: cerea.enpc.fr Language: English - Date: 2008-11-26 10:41:01 Operations research Simulation Atmospheric dispersion modeling Computational science Computational chemistry Molecular modelling
13	PHYSICAL REVIEW E 78, 036101 共2008兲 Azobenzene photoswitches in bulk materials Marcus Böckmann, Nikos L. Doltsinis,* and Dominik Marx Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germ Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2008-10-17 09:58:55 Chemistry Computational chemistry Molecular modelling QM/MM Force field Crystal
14	Proc. Idea-Finding Symposium Frankfurt Institute for Advanced Studies–153 Idea-Finding Symposium Frankfurt Institute for Advanced Studies Add to Reading List Source URL: ftp.theochem.rub.de Language: English - Date: 2004-02-24 03:00:44 Chemistry Quantum chemistry Theoretical chemistry Computational chemistry Computational physics Molecular modelling CarParrinello molecular dynamics Molecular dynamics Density functional theory BornOppenheimer approximation HartreeFock method Path integral molecular dynamics
15	ODYSSEY SPARTAN STUDENT EDITION Platforms Add to Reading List Source URL: www.wavefun.com Language: English - Date: 2015-12-09 17:52:12 Chemistry Nature Chemical bonding Quantum chemistry Computational chemistry Molecular modelling Atomic orbital Molecular geometry Molecular orbital Molecular dynamics Spartan Crystal
16	EUROMATSymposia Structure/Area D Title: Multiscale Modeling of Materials Organizer Assoc. Prof. Karakasidis Add to Reading List Source URL: euromat2017.fems.eu Language: English - Date: 2016-07-08 09:56:28 Mathematical modeling Chemistry Multiscale modeling Computational science Computational chemistry Molecular modelling Nature Molecular dynamics Scientific modelling Dissipative particle dynamics Fluid mechanics Coarse-grained modeling
17	2108 J. Chem. Theory Comput. 2008, 4, 2108–2121 Explaining Asymmetric Solvation of Pt(II) versus Pd(II) in Aqueous Solution Revealed by Ab Initio Molecular Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2009-01-06 06:59:44 Chemistry Solutions Molecular modelling Intermolecular forces Physical chemistry Metal ions in aqueous solution Acids Solvation shell Properties of water Implicit solvation Hydrogen bond Solvation
18	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
19	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
20	Exploiting the Japanese Toxicogenomics Project for Predictive Modelling of Drug Toxicity Djork-Arn´e Clevert1† , Martin Heusel1† , Andreas Mitterecker1 , Willem Talloen2 , Hinrich G¨ohlmann2 , J¨org Wegner2 , Andr Add to Reading List Source URL: www.bioinf.jku.at Language: English - Date: 2012-08-02 03:31:12 Genomics Biology Bioinformatics Molecular biology Computational biology Sepp Hochreiter Toxicology Toxicogenomics Microarrays Functional genomics In vitro Gene expression