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Computational chemistry
Results: 1931

#	Item
121	247 Eurographics/ ACM SIGGRAPH Symposium on Computer AnimationA. Bargteil and M. van de Panne (Editors) Asynchronous Integration with Phantom Meshes David Harmon† , Qingnan Zhou, and Denis Zorin Add to Reading List Source URL: www.cs.nyu.edu Language: English - Date: 2011-08-14 17:42:47 Computational chemistry Molecular dynamics Numerical analysis Scientific modeling Ordinary differential equations Variational integrator Geometric integrator Numerical methods for ordinary differential equations Integrator Finite element method Lagrangian mechanics Energy drift
122	Microsoft Word - Format3.0.1-dif.doc Add to Reading List Source URL: cdn.wwpdb.org Language: English - Date: 2016-07-21 15:06:49 Biological databases Genetics Molecular biology Computational chemistry Protein Data Bank Protein structure STING Nucleic acid Protein Ribonucleotide Polymer Residue
123	VOLUME 89, N UMBER 21 PHYSICA L R EVIEW LET T ERS 18 NOVEMBER 2002 Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2002-11-13 07:10:18 Solutions Solvation Diffusion Grotthuss mechanism Computational chemistry TraPPE force field Metal ions in aqueous solution
124	Equipartition and the Calculation of Temperature in Biomolecular Simulations Add to Reading List Source URL: www.deshawresearch.com Language: English - Date: 2010-09-27 16:06:45 Molecular dynamics Computational chemistry State functions Energy drift Thermodynamics Computational physics Equipartition theorem Verlet integration Temperature Hamiltonian mechanics T Periodic boundary conditions
125	Dissipative Particle Dynamics: Foundation, Evolution and Applications Lecture 3: New methods beyond traditional DPD George Em Karniadakis Division of Applied Mathematics, Brown University Add to Reading List Source URL: www.prague-sum.com Language: English - Date: 2014-08-26 09:05:07 Colloidal chemistry Condensed matter physics Soft matter Computational fluid dynamics Dosage forms Dissipative particle dynamics Colloid Particle size
126	6th International Conference on Partial Least Squares and Related Methods in Beijing (PLS’09 - China) 4-7 September 2009 The 6th International Conference on Partial Least Squares and Related Methods (PLS’09) was succ Add to Reading List Source URL: www.isbis-isi.org Language: English - Date: 2016-07-21 06:09:04 Regression analysis Least squares Partial least squares regression Computational chemistry Chemometrics Herman Wold PLS Classification Agnar Hskuldsson Partial least squares path modeling
127	Eur. Phys. J. Special Topics 224, 2409–) © EDP Sciences, Springer-Verlag 2015 DOI: epjst/e2015THE EUROPEAN PHYSICAL JOURNAL Add to Reading List Source URL: comp-phys.univie.ac.at Language: English - Date: 2015-09-23 02:32:54 Computational chemistry Monte Carlo methods Theoretical chemistry Molecular dynamics Stochastic simulation Transition path sampling Thermodynamic integration Reaction coordinate Dynamical system Importance sampling TPS Phase space
128	ODYSSEY Molecular Explorer Release 5.3 Scientifically Sound Modeling for Learners and Teachers of Chemistry. New and Revised Molecular Labs  Add to Reading List Source URL: www.wavefun.com Language: English - Date: 2016-05-04 12:57:19 AP Chemistry Chemical education Cheminformatics Computational chemistry
129	9th AIMS CONFERENCE – ABSTRACTS 24 Special Session 5: Hybrid Monte Carlo Elena Akhmatskaya, Basque Center for Applied Mathematics, Spain Add to Reading List Source URL: www.aimsciences.org Language: English - Date: 2012-06-23 07:34:50 Monte Carlo methods Molecular modelling Computational chemistry Markov chain Monte Carlo Molecular dynamics Hybrid Monte Carlo Stochastic Monte Carlo molecular modeling Modeling of polymer crystals
130	New Records in 3.2 Page 1 Protein Data Bank Changes Guide New Changes in Version 3.20 Add to Reading List Source URL: cdn.wwpdb.org Language: English - Date: 2016-07-21 15:06:48 Biological databases Computational chemistry Protein Data Bank Comment Alternative medicine

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