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CombiGlide specifications

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Unique identifier OMICS_18934
Name CombiGlide
Software type Pipeline/Workflow
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Advanced
Stability No
Maintained No

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Publication for CombiGlide

CombiGlide citations

 (3)
library_books

Structure Activity Relationship Analysis of 3 Phenylcoumarin Based Monoamine Oxidase B Inhibitors

2018
PMCID: 5840146
PMID: 29552556
DOI: 10.3389/fchem.2018.00041

[…] ring (figure ) were designed by combining phenylacetic acid with either 6-methoxycoumarin or 7-methoxycoumarin. the preliminary combinatorial compound library was generated using maestro version 9.3 combiglide (combiglide, version 2.8, schrödinger, llc, new york, ny, usa) and combinatorial screening module. the compounds were docked with glide and scored using glidescore. […]

library_books

Activation loop targeting strategy for design of receptor interacting protein kinase 2 (RIPK2) inhibitors

2018
PMCID: 5819902
PMID: 29409752
DOI: 10.1016/j.bmcl.2018.01.044

[…] interaction with hydrophobic residues in this allosteric pocket. initially, a synthetically accessible virtual library was generated by using the in silico combinatorial library algorithm combiglide (schrödinger llc) based on regorafenib where the variations were introduced in the urea benzene. according to the docking score and synthetic feasibility, a small library of 15 regorafenib […]

library_books

How well do the substrates KISS the enzyme? Molecular docking program selection for feruloyl esterases

2012
Sci Rep
PMCID: 3308130
PMID: 22435086
DOI: 10.1038/srep00323

[…] suite - maestro v9.2: maestro version 9.2 is the graphical user interface (gui) for the latest versions of schrödinger's suite computational programs released in april 2011 (schrödinger llc, usa): combiglide version 2.7, confgen version 2.3, desmond version 3.0, epik version 2.2, glide version 5.7, impact version 5.7, jaguar version 7.8, liaison version 5.7, ligprep version 2.5, macromodel […]


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CombiGlide institution(s)
Laboratory of Bio-Organic Chemistry, Department of Biochemistry and Biotechnology, University of Thessaly, Larissa, Greece; Institute of Biology, Medicinal Chemistry and Biotechnology, National Hellenic Research Foundation, Athens, Greece; Department of Physics, University of Cyprus, Nicosia, Cyprus; Institute of Cellular Medicine, Newcastle University, Newcastle, UK; Centre for Materials Science, Division of Chemistry, University of Central Lancashire, Preston, UK
CombiGlide funding source(s)
Supported in part by the Postgraduate Programmes ‘Biotechnology-Quality assessment in Nutrition and the Environment’, ‘Application of Molecular Biology-Molecular Genetics-Molecular Markers’, Department of Biochemistry and Biotechnology, University of Thessaly, and the European Community’s Seventh Framework Programme (FP7/2007-2013) under BioStruct-X (Grant agreement N283570).

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