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Molecular dynamics
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31	CHEMMEDCHEM FULL PAPERS FULL PAPERS Virtual domains! Using molecular dynamics (MD) simulations, the importance of structured water molecules in bromodomains, an important class of Add to Reading List Source URL: www.biochem-caflisch.uzh.ch - Date: 2013-09-13 12:14:23
32	Journal of Theoretical and Computational Chemistry, Vol. 1, No–349 c World Scientific Publishing Company FIRST PRINCIPLES MOLECULAR DYNAMICS INVOLVING EXCITED STATES AND NONADIABATIC TRANSITIONS Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de - Date: 2002-12-09 09:59:01
33	Molecular dynamics in drug design Add to Reading List Source URL: www.biochem-caflisch.uzh.ch - Date: 2014-08-22 09:11:05
34	J. Phys. Chem. B 2008, 112, Microsecond Molecular Dynamics Simulation Shows Effect of Slow Loop Dynamics on Backbone Amide Order Parameters of Proteins† Add to Reading List Source URL: www.deshawresearch.com - Date: 2010-09-27 16:06:45
35	HiMach A Parallel Framework for Analyzing Molecular Dynamics Trajectories HiMach Version 1.0/Document Version 0.1 June 2009 Add to Reading List Source URL: www.deshawresearch.com Language: English Concurrent computing Computing Parallel computing MapReduce Data-intensive computing Apache Hadoop Molecular dynamics Map Automatic parallelization Parallelization contract Aster Data Systems
36	Extending Stability Beyond CPU Millennium A Micron-Scale Atomistic Simulation of Kelvin-Helmholtz Instability J. N. Glosli K. J. Caspersen Add to Reading List Source URL: asc.llnl.gov Language: English - Date: 2007-11-15 21:10:12 Computing Concurrent computing Computer architecture Parallel computing Computational chemistry Molecular dynamics Molecular modelling Scientific modeling Data quality Parity bit Blue Gene LAMMPS
37	316 Genome Informatics 13: 316–The Role of Electrostatics in Discrimination of Adenine and Guanine by Proteins Add to Reading List Source URL: www.jsbi.org Language: English - Date: 2002-12-19 23:03:38 Chemistry Nature Chemical bonding Molecular modelling Computational chemistry Supramolecular chemistry Molecular physics Protein Ligand Hydrogen bond Molecular dynamics Molecular binding
38	THE JOURNAL OF CHEMICAL PHYSICS 131, 224902 !2009" Thermoreversible associating polymer networks. I. Interplay of thermodynamics, chemical kinetics, and polymer physics Robert S. Hoy1,a! and Glenn H. Fredrickson1,2 1 Add to Reading List Source URL: labs.cas.usf.edu Language: English - Date: 2012-08-20 18:55:47 Chemistry Nature Materials science Polymer chemistry Polymer physics Polymers Condensed matter physics Hydrogen bond Molecular dynamics Polymer Glass transition Chemical physics
39	MODE RESOLVED THERMAL TRANSPORT IN AMORPHOUS SILICON: A MOLECULAR DYNAMICS STUDY Christopher H. Baker and Pamela M. Norris Department of Mechanical and Aerospace Engineering, University of Virginia, Charlotte Add to Reading List Source URL: www.vsgc.odu.edu - Date: 2013-05-02 13:43:32
40	DOC Document Add to Reading List Source URL: www.iaqms.org Language: English - Date: 2013-10-04 03:25:57 Chemistry Theoretical chemistry Computational chemistry Chemist Quantum chemistry John Pople Physical chemistry Biophysics Molecular dynamics Henry F. Schaefer III Petr Crsky