Computational chemistry

Results: 1931



#Item
651Clinical research / Medicinal chemistry / Pharmaceutical industry / Holism / Synergy / Drug discovery / Loewe additivity / Bioinformatics / Pharmaceutical sciences / Science / Pharmacology

Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Medicine 1073 Integrated Computational and Experimental Approaches for Accelerated Drug Combination

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Source URL: uu.diva-portal.org

Language: English - Date: 2015-03-23 02:42:28
652Graphics hardware / Chemistry / GPGPU / Bioinformatics / Molecular modelling / Visual Molecular Dynamics / Molecular dynamics / NAMD / CUDA / Science / Computational chemistry / Application software

Accelerating Molecular Modeling Applications with Graphics Processors

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Source URL: gpgpu.org

Language: English - Date: 2014-08-11 19:24:50
653Computational chemistry / Atomic physics / Hartree–Fock method / Multi-configurational self-consistent field / Gaussian / Basis set / Density functional theory / Chemical bond / Hybrid functional / Chemistry / Theoretical chemistry / Quantum chemistry

Isolated metal molecules for hydrogen storage: predicted MH12 species

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Source URL: www.iphe.net

Language: English - Date: 2011-02-16 17:21:59
654Aerosol science / Computational science / Nucleation / Deposition / Atmospheric model / Global climate model / Condensation / Numerical methods for ordinary differential equations / Water vapor / Chemistry / Particulates / Atmospheric sciences

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Source URL: www.geosci-model-dev.net

Language: English - Date: 2014-12-04 04:17:15
655Quantum mechanics / Theoretical chemistry / Quantum chemistry / Introduction to quantum mechanics / Molecule / Quantum / Electron / Computational chemistry / Quantum computer / Physics / Chemistry / Science

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Source URL: www.ims.ac.jp

Language: English - Date: 2015-03-08 23:03:08
656California Institute of Technology / Voronoi diagram / Molecule / Academia / Mathematics / Science / Chemistry / Herbert Edelsbrunner

Computational Biology Seminar Series Caltech Department of Computer

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Source URL: multires.caltech.edu

Language: English - Date: 2006-06-13 11:46:42
657Chemical engineering / Chemistry / 3D graphics software / SolidWorks / Passive fire protection / Heating /  ventilating /  and air conditioning / Heat sink / Dassault Systèmes / Thermal conductivity / Mechanical engineering / Heat transfer / Heat conduction

SOLIDWORKS FLOW SIMULATION: ELECTRONIC COOLING MODULE The complete electronic cooling simulation tool Flow Simulation For Every Engineer SolidWorks® Flow Simulation software is a powerful computational fluid dynamics

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Source URL: www.solidvision.cz

Language: English - Date: 2011-02-27 06:02:53
658Drug discovery / Computing / Medicinal chemistry / Molecular modelling / Protein structure / Docking / Nimrod / Grid computing / Chemical database / Chemistry / Science / Computational chemistry

The Virtual Laboratory: a toolset to enable distributed molecular modelling for drug design on the World-Wide Grid

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Source URL: www.cloudbus.org

Language: English - Date: 2004-02-16 23:54:15
659Protein structure / Molecular modelling / Computational chemistry / Drug discovery / Docking / Macromolecular docking / Drug design / Multiprotein complex / STING / Chemistry / Bioinformatics / Science

Proceedings Template - WORD

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Source URL: www.cs.iastate.edu

Language: English - Date: 2011-07-28 23:40:35
660Oxygen / Global warming / Climate forcing / Computational science / Global climate model / Climate model / Primary production / Carbon dioxide / HadCM3 / Chemistry / Matter / Climatology

Geosci. Model Dev., 7, 1419–1431, 2014 www.geosci-model-dev.netdoi:gmd © Author(sCC Attribution 3.0 License. Numerical simulations of oceanic oxygen cycling in the FAMOUS

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Source URL: www.geosci-model-dev.net

Language: English - Date: 2014-12-04 04:40:39
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