Computational chemistry - PDFSEARCH.IO - Document Search Engine

Computational chemistry
Results: 1931

#	Item
861	Advanced Character Physics Página 1 de 16 Advanced Character Physics Thomas Jakobsen Add to Reading List Source URL: www.pagines.ma1.upc.edu Language: English - Date: 2003-02-24 12:37:12 Computational chemistry Introductory physics Rotational symmetry Video game development Verlet integration Constraint algorithm Molecular dynamics Dynamical simulation Particle system Physics Science Computational physics
862	Key Nanotechnologies Nano-Scale Simulation by the Use of Supercomputer Electronic Structure Calculation of Materials MIYAMOTO Yoshiyuki, TAKAHARA Hiroshi Add to Reading List Source URL: www.nec.com Language: English - Date: 2013-10-01 21:34:19 Computational chemistry Science Carbon nanotube Molecular dynamics Density functional theory Time-dependent density functional theory Nanotechnology Chemistry Emerging technologies Physics
863	Fall[removed]CHEMISTRY 675 Physical Chemistry of Macromolecules Lectures: Mon, Wed, and Fri 9-9:50AM FW 201FW300?? Instructor – James R. Horn, FW 432, [removed], [removed] (note: j r horn) Office Hours – Prefer Add to Reading List Source URL: www.niu.edu Language: English - Date: 2015-02-09 12:31:27 Science Molecular modelling Bioinformatics Molecular biology Protein structure Molecular dynamics Protein Docking Structural genomics Chemistry Biology Computational chemistry
864	Fall[removed]CHEMISTRY 475 Physical Chemistry of Macromolecules Lectures: Mon, Wed, and Fri 9-9:50AM FW 201FW300?? Instructor – James R. Horn, FW 432, [removed], [removed] (note: j r horn) Office Hours – Prefer Add to Reading List Source URL: www.niu.edu Language: English - Date: 2015-02-09 12:31:26 Science Molecular modelling Bioinformatics Molecular biology Protein structure Molecular dynamics Protein Docking Structural genomics Chemistry Biology Computational chemistry
865	Williams, I. H., Ruiz-Pernia, J. J. and Tunon, I[removed]Does glycosyl transfer involve an oxacarbenium intermediate? Computational simulation of the lifetime of the methoxymethyl cation in water. Pure and Applied Chemis Add to Reading List Source URL: opus.bath.ac.uk Language: English - Date: 2015-02-28 07:50:09 Molecular dynamics Hydronium Ion-association Glycoside hydrolase Chemistry Substitution reactions SN1 reaction
866	Drug-induced arrhythmogenesis. Prediction and Mechanisms Blanca Rodriguez and Computational Biology Group University of Oxford Add to Reading List Source URL: www.newton.ac.uk Language: English - Date: 2014-05-31 12:08:23 HERG Medicinal chemistry Pharmacology Biomarker Torsades de pointes QT interval Ion channel Cardiotoxicity Biology Medicine Cardiac dysrhythmia
867	Microsoft Word - SYLLABUS.DOC Add to Reading List Source URL: www.niu.edu Language: English - Date: 2015-02-09 12:31:31 Spectroscopy Computational chemistry Molecular physics Molecule Rotational spectroscopy Chemical bond Ether Energy level Diatomic molecule Chemistry Theoretical chemistry Quantum chemistry
868	University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch Add to Reading List Source URL: www.zora.uzh.ch Language: English - Date: 2010-11-29 09:01:50 Theoretical chemistry Density functional theory Molecular modelling Quantum chemistry Molecular dynamics CP2K Ab initio quantum chemistry methods Force field Michele Parrinello Chemistry Science Computational chemistry
869	Salient Frame Detection for Molecular Dynamics Simulations Youngmin Kim1 , Robert Patro2 , Cheuk Yiu Ip3 , Dianne P. O’Leary4 , Andriy Anishkin5 , Sergei Sukharev6 , and Amitabh Varshney7 1,2,3,4,7 Department of Comput Add to Reading List Source URL: drops.dagstuhl.de Language: English - Date: 2011-10-26 08:26:55 Biology Molecular modelling Helices Computational chemistry Molecular dynamics Alpha helix Dihedral angle Ramachandran plot STING Algebra Protein structure Mathematics
870	Published online April 22, [removed]–2309 Nucleic Acids Research, 2005, Vol. 33, No. 7 doi:[removed]nar/gki524 TM-align: a protein structure alignment algorithm based on the TM-score Add to Reading List Source URL: zhanglab.ccmb.med.umich.edu Language: English - Date: 2008-12-16 16:17:42 Biology Protein methods Protein structure Computational chemistry Stereochemistry Structural alignment Root-mean-square deviation Sequence alignment Template Modeling Score Bioinformatics Science Chemistry

UPDATE