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Computational chemistry
Results: 1931

#	Item
241	University of Illinois at Urbana-Champaign Beckman Institute for Advanced Science and Technology Theoretical and Computational Biophysics Group Computational Biophysics Workshop Stretching Deca-alanine Add to Reading List Source URL: www.ks.uiuc.edu Language: English Molecular modelling Molecular dynamics NAMD Simulation Hydrogen bond Visual Molecular Dynamics Chemistry Science Computational chemistry
242	CHAPTER 13 Computational Multitarget Drug Discovery JEREMY A. HORST, ADRIAN LAURENZI, BRADY BERNARD, and RAM SAMUDRALA Add to Reading List Source URL: www.ram.org Language: English - Date: 2015-04-27 23:24:43 Chemistry Medicinal chemistry Pharmacology Bioinformatics Cheminformatics Docking ADME High-throughput screening Lead compound Pharmaceutical sciences Science Drug discovery
243	Pseudopotentials (Part I): Georg KRESSE ¨ Materialphysik and Center for Computational Materials Science Institut fur Universit¨at Wien, Sensengasse 8, A-1090 Wien, Austria Add to Reading List Source URL: cms.mpi.univie.ac.at Language: English - Date: 2003-02-06 08:11:56 Chemistry Quantum mechanics Electronic band structure Free electron model Bloch wave Hamiltonian Periodic function Physics Condensed matter physics Mathematical analysis
244	The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets Add to Reading List Source URL: www.jcheminf.com Language: English Encodings Chemical nomenclature Chemical databases Computational chemistry Chemical table file Simplified molecular-input line-entry specification International Chemical Identifier Molecule editor ChemSpider Science Chemistry Cheminformatics
245	Hands on Session II: Robert LORENZ ¨ Materialphysik and Center for Computational Material Science Institut fur Universit¨at Wien, Strudlhofgasse 4, A-1090 Wien, Austria Add to Reading List Source URL: cms.mpi.univie.ac.at Language: English - Date: 2003-02-06 08:11:56 Physics Crystal structure Density of states Brillouin zone Lattice constant Crystal Chemistry Crystallography Condensed matter physics
246	Data Mining in Bioinformatics Day 8: Graph Mining for Chemoinformatics and Drug Discovery Chloé-Agathe Azencott Machine Learning & Computational Biology Research Group MPIs Tübingen Add to Reading List Source URL: agbs.kyb.tuebingen.mpg.de Language: English - Date: 2012-02-14 08:07:29 Pharmacology Cheminformatics Drug discovery Medicinal chemistry Computational chemistry Quantitative structure–activity relationship Molecular descriptor Drug design Pharmaceutical sciences Science Chemistry
247	Molecular Function Team Structure Analysis: Bio‐complex Bio complex Molecules Molecules Add to Reading List Source URL: www.molprof.jp Language: English - Date: 2013-07-09 04:18:06 Molecular modelling Bioinformatics Protein structure Docking Drug discovery Phi Dynamical system Nature Chemistry Science Computational chemistry
248 $Crystallography / Diffraction / Computational chemistry / Condensed matter physics / Materials science / Reciprocal lattice / Crystal structure / Basis set / Electron / Chemistry / Physics / Science$	Hands on Session I: Georg KRESSE ¨ Materialphysik and Center for Computational Material Science Institut fur Universit¨at Wien, Sensengasse 8, A-1090 Wien, Austria Add to Reading List Source URL: cms.mpi.univie.ac.at Language: English - Date: 2003-02-06 08:11:56 Crystallography Diffraction Computational chemistry Condensed matter physics Materials science Reciprocal lattice Crystal structure Basis set Electron Chemistry Physics Science
249	Supplementary Material: Paradigms for Computational Nucleic Acid Design Robert M. Dirks∗, Milo Lin¶, Erik Winfree†‡ and Niles A. Pierce§‡ ∗ Chemistry, ¶Undergraduate, †Computer Science and Computation & N Add to Reading List Source URL: www.piercelab.caltech.edu - Date: 2010-09-08 02:56:24
250	Max Nanis (b. 1990, Philadelphia, USA) is a conceptual artist, programmer, and computational biologist. He studied biology, chemistry and sculpture at Bennington College. Max logged onto the Internet when he was three ye Add to Reading List Source URL: maxnanis.com - Date: 2015-04-20 10:48:43

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