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Computational chemistry
Results: 1931

#	Item
21	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
22	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
23	arXiv:1510.02855v1 [cs.LG] 10 OctAtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery Add to Reading List Source URL: arxiv.org Language: English - Date: 2015-10-12 20:36:12 Medical research Bioinformatics Pharmaceutical sciences Chemistry Computational neuroscience Cheminformatics Drug discovery Medicinal chemistry Virtual screening Convolutional neural network Deep learning Artificial neural network
24	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
25	Local scale - postprocessing and advanced methods. Polyphemus Training Session December 22, 2009 About Purpose: Local scale simulations: postprocessing and plume-in-grid simulations. Add to Reading List Source URL: cerea.enpc.fr Language: English - Date: 2011-02-18 05:18:36 Operations research Simulation Atmospheric dispersion modeling Computational science Computational chemistry Molecular modelling
26	Invited Talks 17 Stefan Heinrich FB Informatik, Geb Add to Reading List Source URL: mcm2001.sbg.ac.at Language: English - Date: 2001-09-18 09:11:38 Chemistry Physics Quantum mechanics Quantum chemistry Emerging technologies Quantum computing Theoretical computer science Computational physics Monte Carlo method Quantum dot Quantum algorithm HartreeFock method
27	Leading Edge Voices Expanding the Biology Toolkit Fun with Chemistry Add to Reading List Source URL: compgen.illinois.edu Language: English - Date: 2016-01-13 14:52:06 Biology Nature Chemistry Chemical biology Abiogenesis Computational chemistry Outline of chemistry
28	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
29	310 Genome Informatics 13: 310–Analysis of Complementarity of Protein-DNA Interactions Using the Electrostatic Potential and Add to Reading List Source URL: www.jsbi.org Language: English - Date: 2002-12-19 23:03:36 Biology Chemistry Bioinformatics Nature Biotechnology Helices Molecular modelling Computational chemistry DNA Multiprotein complex Proteinprotein interaction Macromolecular docking
30	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

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