Protein–ligand docking

Results: 33



#Item
11Molecular modelling / Bioinformatics / Protein structure / Drug discovery / Computational chemistry / Docking / DOCK / Ligand / Chemistry / Biology / Science

Microsoft Word - Keystone_2006_Fine_BioInterpreter_Abstract.doc

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Source URL: www.biopredict.com

Language: English - Date: 2006-11-28 17:37:10
12Bioinformatics / Drug discovery / Cell signaling / Molecular modelling / Protein structure / Docking / Ligand / Virtual screening / Receptor / Biology / Chemistry / Science

Tristram Journal of Cheminformatics 2010, 2(Suppl 1):O11 http://www.jcheminf.com/content/2/S1/O11 ORAL PRESENTATION Open Access

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Source URL: www.jcheminf.com

Language: English
13Bioinformatics / Drug discovery / Medicinal chemistry / Cell signaling / Docking / Drug design / Structural alignment / Protein / Metalloprotein / Biology / Chemistry / Protein structure

Chemistry Central Journal Open Access Research article PocketPicker: analysis of ligand binding-sites with shape descriptors

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Source URL: journal.chemistrycentral.com

Language: English
14Medicinal chemistry / Drug discovery / Computational chemistry / Molecular modelling / Cheminformatics / Astex / Cambridge Crystallographic Data Centre / Protein–ligand docking / Docking / Pharmaceutical sciences / Chemistry / Science

Astex Therapeutics and Cambridge Crystallographic Data Centre Extend 10-Year Research Collaboration Cambridge, UK, 12th May[removed]Astex Therapeutics, the fragment-based drug discovery company, and the Cambridge Crystallo

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Source URL: astx.com

Language: English
15Medicinal chemistry / Molecular modelling / Protein structure / Cheminformatics / Quantitative structure–activity relationship / Docking / Accessible surface area / Molecule / Chemistry / Computational chemistry / Science

Chemical and physical property prediction from electronic properties of molecular surfaces • Cytochrome P450 drug metabolism prediction* • Ligand docking - improved accuracy** • 3D QSAR & QSPR - novel electronic de

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Source URL: cacheresearch.com

Language: English - Date: 2010-03-17 17:49:28
16Drug discovery / Medicinal chemistry / Computational chemistry / Bioinformatics / Docking / DOCK / Drug design / Protein–ligand docking / Chemistry / Molecular modelling / Science

BioSolveIT_FlexX_2007_RZ.qxd[removed]:22 Uhr

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Source URL: www.biosolveit.de

Language: English - Date: 2007-06-12 05:27:26
17Chemical bonding / Molecular modelling / Protein structure / Computational chemistry / Ligand / Docking / Signal transduction / Force field / Chemistry / Biology / Cell signaling

Hindawi Publishing Corporation The Scientific World Journal Volume 2013, Article ID[removed], 10 pages http://dx.doi.org[removed][removed]Research Article

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Source URL: downloads.hindawi.com

Language: English - Date: 2014-05-08 07:41:21
18Cheminformatics / Drug discovery / Bioinformatics / Pharmaceutical sciences / Health informatics / LigandScout / Virtual screening / Pharmacophore / Docking / Medicinal chemistry / Science / Chemistry

LIGANDSCOUT TUTORIAL CARD 1 Creating a pharmacophore from a single protein-ligand complex Experience level: basic Time needed: 5 minutes

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Source URL: www.inteligand.com

Language: English - Date: 2011-07-27 04:06:24
19Pharmacology / Bioinformatics / Medicinal chemistry / Protein structure / Cell signaling / Docking / Ligand / Estrogen receptor / Agonist / Biology / Chemistry / Cell biology

Molecular Modeling to Predict and Understand Chemical Toxicity James Rabinowitz, Michael-Rock Goldsmith1 and Stephen Little research d ev el opme nt

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Source URL: epa.gov

Language: English - Date: 2012-05-07 10:14:04
20Bioinformatics / Molecular modelling / Drug discovery / Protein structure / Computational chemistry / Docking / Virtual screening / DOCK / Ligand / Chemistry / Biology / Science

Ligand Pose and Orientational Sampling in Molecular Docking Ryan G. Coleman1, Michael Carchia1, Teague Sterling1, John J. Irwin2, Brian K. Shoichet1,2* 1 Department of Pharmaceutical Chemistry, University of California S

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Source URL: www.ncbi.nlm.nih.gov

Language: English
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