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Computational chemistry
Results: 1931

#	Item
221	University of Illinois at Urbana-Champaign Luthey-Schulten Group NIH Center for Macromolecular Modeling and Bioinformatics Assembly of the h18 Pseudoknot in Escherichia coli Using Structure-Based Models Add to Reading List Source URL: vidar.scs.uiuc.edu Language: English - Date: 2014-01-21 19:29:11 Computational chemistry Molecular modelling RNA Molecular dynamics NAMD GROMACS Root-mean-square deviation Pseudoknot Statistics Science Chemistry
222	Conformational Splitting: A More Powerful Criterion for Dead-End Elimination N. A. PIERCE,1,∗ J. A. SPRIET,2 J. DESMET,2,† S. L. MAYO3 1 Division of Biology, California Institute of Technology, Pasadena, California Add to Reading List Source URL: www.piercelab.caltech.edu Language: English - Date: 2010-09-08 02:56:25 Dead-end elimination Mathematical optimization Bioinformatics Stereochemistry Conformational isomerism Protein design STING Homology modeling Computational chemistry Chemistry Protein methods Protein structure
223	Curriculum Vitae Hendrik J. Monkhorst Quantum Theory project and Physics Department University of Florida Gainesville FL32611-8435 Add to Reading List Source URL: www.qtp.ufl.edu Language: English - Date: 2006-08-18 00:00:00 Quantum chemistry Crystal Hartree–Fock method Ab initio quantum chemistry methods Physical Review Chemistry Computational chemistry Theoretical chemistry
224	Batista-Navarro et al. Journal of Cheminformatics 2015, 7(Suppl 1):S6 http://www.jcheminf.com/content/7/S1/S6 RESEARCH Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Natural language processing Named-entity recognition Bigram Information extraction Part-of-speech tagging Chemistry SemEval Identifier Conditional random field Science Linguistics Computational linguistics
225	DFT in depth the exchange-correlation term Robin HIRSCHL ¨ Materialphysik Institut fur and Center for Computational Material Science Add to Reading List Source URL: cms.mpi.univie.ac.at Language: English - Date: 2003-03-18 08:13:34 Local-density approximation Hybrid functional Jellium Kohn–Sham equations Density functional theory Physics Chemistry
226	High Performance Computing II Lecture 30 Topic 5: Computational Fluid Dynamics – Particle Suspension The simplest type of fluid system has a single homogeneous component. In practical Add to Reading List Source URL: www.physics.buffalo.edu Language: English - Date: 2014-03-25 12:14:09 Aerodynamics Chemical engineering Piping Earth sciences Settling Navier–Stokes equations Reynolds number Drag Immersed boundary method Fluid mechanics Chemistry Fluid dynamics
227	2013 Digital Rates SciVerse ScienceDirect: Chemistry SciVerse ScienceDirect CHEMISTRY— Add to Reading List Source URL: www.elsevierpublishingsolutions.com Language: English - Date: 2013-07-26 09:17:39 Medicinal chemistry Inorganica Chimica Acta Analytica Chimica Acta Journal of Molecular Structure Computational and Theoretical Chemistry Journal of Medicinal Chemistry Journal of Chromatography A Journal of Chromatography B Tetrahedron Publishing Academic publishing Chemistry
228	DICP Symposium (XXXVII) on Theoretical Challenges in Small Molecule Dynamics A Satellite Meeting of the 15th International Congress of Quantum Chemistry Organizers Add to Reading List Source URL: www.sklmr.dicp.ac.cn Language: English - Date: 2015-05-27 22:14:20 Quantum chemistry Computational chemistry Potential energy surface Transition state theory Chemical physics Conical intersection Water dimer Chemistry Science Theoretical chemistry
229	Microsoft Word - folleto_Chiron_v3.doc Add to Reading List Source URL: intelligentpharma.com Language: English - Date: 2014-11-20 04:44:59 Cheminformatics Medicinal chemistry Drug discovery Pharmacology Virtual screening Chiron Computational chemistry Molecule Pharmaceutical sciences Science Chemistry
230	APS March Meeting 2014 Denver, Colorado http://www.aps.org/meetings/march/index.cfm Monday, March 3, 2014 8:00AM - 11:00AM Add to Reading List Source URL: flux.aps.org Language: English - Date: 2014-03-27 14:32:14 Quantum mechanics Condensed matter physics Computational chemistry Theoretical chemistry Crystal Electronic band structure Hybrid functional Local-density approximation Axel D. Becke Physics Chemistry Density functional theory

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