Molecular modelling - PDFSEARCH.IO - Document Search Engine

Molecular modelling
Results: 639

#	Item
21	Applications are invited for fully funded scholarships in our collaborators at Kings College, Department of Chemistry. The successful applicant will start in September 2016 in the Rosta group. Project title: Statisticall Add to Reading List Source URL: www.np.phy.cam.ac.uk Language: English Computational chemistry Nature Molecular dynamics Molecular modelling Simulation Biophysics Science Applied mathematics
22	Theory 2.5 Director: Walter Thiel (born 1949) Add to Reading List Source URL: www.kofo.mpg.de Language: English - Date: 2014-11-10 05:49:05 Chemistry Theoretical chemistry Computational chemistry Post-HartreeFock methods Molecular modelling Ab initio quantum chemistry methods Max Planck Institute for Coal Research Semi-empirical quantum chemistry method Coupled cluster Molecular dynamics Quantum chemistry Density functional theory
23	Teaching Chemistry with Wavefunction, IncVon Karman Ave, Suite 370 Irvine, California 92612 Add to Reading List Source URL: www.wavefun.com Language: English - Date: 2016-05-04 15:26:51 Nature Chemistry Computational chemistry Computer graphics Computational science Science Molecular biology Infographics Molecular model Scientific modelling Visualization Molecule
24	Ab initio path integral molecular dynamics: Basic ideas Dominik Marx and Michele Parrinello Max-Planck-Institut fu¨r Festko¨perforschung, Heisenbergstr. 1, 70569 Stuttgart, Germany ~Received 12 October 1995; accepted 6 Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2001-11-05 09:00:44 Physics Chemistry Theoretical chemistry Computational chemistry Molecular modelling Quantum chemistry CarParrinello molecular dynamics Density functional theory Molecular dynamics BornOppenheimer approximation Path integral formulation Fractional quantum mechanics
25	Simbios OpenMM Visiting Scholar Program Add to Reading List Source URL: simbios.stanford.edu Language: English - Date: 2016-06-03 17:46:29 Chemistry Computational chemistry Molecular modelling Computational science Occupations Systems engineering Molecular dynamics Molecular modeling on GPUs
26	DESRES/TRDesmond Performance on a Cluster of Multicore Processors Edmond Chow, 1 Charles A. Rendleman,1 Kevin J. Bowers,1 Ron O. Dror,1 Douglas H. Hughes,1 Justin Gullingsrud,1 Federico D. Sacerdoti,1 and Davi Add to Reading List Source URL: www.deshawresearch.com Language: English - Date: 2010-09-27 16:06:44 Computing Parallel computing Computational chemistry Molecular dynamics Molecular modelling Scientific modeling Benchmark Multi-core processor
27	THE JOURNAL OF CHEMICAL PHYSICS 122, 054112 共2005兲 Targeted Car–Parrinello molecular dynamics: Elucidating double proton transfer in formic acid dimer Phineus R. L. Markwicka) European Molecular Biology Laboratory Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2006-03-03 05:47:42 Chemistry Physics Nature Computational chemistry Computational physics Mathematical optimization Molecular dynamics Molecular modelling Scientific modeling Generalized coordinates TG Lagrange multiplier
28	Design, Synthesis and Biological Evaluation of Novel Inhibitors of Trypanosoma brucei Pteridine Reductase1 Add to Reading List Source URL: comp-phys.univie.ac.at Language: English - Date: 2015-11-20 08:18:28 Chemistry Computational chemistry Nature Parallel computing Molecular modelling Molecular dynamics Graphics hardware Crystal Graphics processing unit Lennard-Jones potential Verlet list Colloid
29	2362 Biophysical Journal Volume 108 Add to Reading List Source URL: www.biochem-caflisch.uzh.ch Language: English - Date: 2015-05-06 11:39:00 Biology Structural biology Chemistry Protein domains Protein structure Molecular modelling Membrane proteins PDZ domain DLG4 Binding protein Protein Molecular dynamics
30	Computational Science and Engineering (Int. Master’s Program) Technische Universität München Master’s Thesis Add to Reading List Source URL: www5.in.tum.de Language: English Computational chemistry Molecular modelling Intermolecular forces Computational physics Theoretical chemistry Molecular dynamics Ewald summation Particle Mesh Van der Waals force Molecular mechanics