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Molecular dynamics
Results: 1160

#	Item
41	THE JOURNAL OF CHEMICAL PHYSICS 130, 194510 共2009兲 On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy Alexander Witt, Sergei D. Ivanov,a兲 Motoyuki Shiga Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2009-05-20 07:41:47 Path integral molecular dynamics Quantum Monte Carlo Quantum chemistry
42	Konstantin Fackeldey, Dorian Krause, Rolf Krause and Christoph Lenzen Coupling Molecular Dynamics and Continua with Weak Constraints Add to Reading List Source URL: people.mpi-inf.mpg.de Language: English - Date: 2015-05-29 10:12:10 Physics Calculus Mechanics Partial differential equations Water waves Wave mechanics Mathematical modeling Fluid dynamics Multiscale modeling Molecular dynamics Dispersion Wavelength
43	Dynamics of cellular level function and regulation derived from murine expression array data Benjamin de Bivort†, Sui Huang‡, and Yaneer Bar-Yam§ Department of Molecular and Cellular Biology, Harvard University, Add to Reading List Source URL: debivort.org Language: English* - Date: 2009-02-20 15:35:35 Biology Gene expression Biochemistry Genetics Molecular biology DNA Molecular genetics Ridge Transcriptional regulation RpoS Transcription factor Gene
44	Welcome to the Marx Group! Scientific Interests of the Marx Group: A Short Overview The general theme of our research consists in understanding structure, dynamics, and chemical reactions of complex molecular many-body s Add to Reading List Source URL: www.theochem.ruhr-uni-bochum.de Language: English - Date: 2015-07-02 11:16:52 Chemistry Computational chemistry Molecular modelling Theoretical chemistry Molecular dynamics Scientific modeling Hydronium Ab initio CarParrinello molecular dynamics Bernd Michael Rode
45	SOFTWARE NEWS AND UPDATES WWW.C-CHEM.ORG ALMOST: An All Atom Molecular Simulation Toolkit for Protein Structure Determination Add to Reading List Source URL: www.biochem-caflisch.uzh.ch Language: English - Date: 2014-08-22 09:14:03 Chemistry Nuclear magnetic resonance Molecular modelling Computational chemistry Protein structure Molecular biology Residual dipolar coupling Molecular dynamics Nuclear magnetic resonance spectroscopy Crystal Bioinformatics Force field
46	ODYSSEY Molecular Explorer Platforms Windows OS X Molecular Dynamics Add to Reading List Source URL: www.wavefun.com Language: English - Date: 2015-12-09 17:49:59 Chemistry Nature Chemical bonding Quantum chemistry Computational chemistry Stereochemistry Molecular modelling Atomic orbital Molecular dynamics Molecular orbital Crystal Molecule
47	Eur. Phys. J. D 10, 353–THE EUROPEAN PHYSICAL JOURNAL D EDP Sciences c Societ` Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2001-11-05 04:12:04 Chemistry Computational chemistry Spectroscopy Quantum chemistry Molecular physics Theoretical chemistry Molecular dynamics Energy level
48	Genome Informatics 12: 330–Molecular Dynamics Simulation of Protein Translocation across a Membrane Add to Reading List Source URL: www.jsbi.org Language: English - Date: 2002-01-17 03:51:06 Chemistry Membrane biology Biology Cell membrane Biological membrane Membrane lipids Membrane protein Hydrophobic effect Amphiphile Micelle Hydrophile Molecular dynamics
49	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
50	THE JOURNAL OF CHEMICAL PHYSICS 132, 031101 共2010兲 Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water Sergei D. Ivanov,1 Alexander Witt Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2010-01-18 04:42:32 Physics Chemistry Nature Quantum mechanics Path integral molecular dynamics Water model Infrared spectroscopy Redshift Heavy water