CombiGlide statistics

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Citations per year

Number of citations per year for the bioinformatics software tool CombiGlide
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Tool usage distribution map

This map represents all the scientific publications referring to CombiGlide per scientific context
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Protocols

CombiGlide specifications

Information


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

Versioning


No version available

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Publication for CombiGlide

CombiGlide citations

 (4)
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Structure Activity Relationship Analysis of 3 Phenylcoumarin Based Monoamine Oxidase B Inhibitors

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

[…] 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. Some of these derivative […]

call_split

Lead identification for the K Ras protein: virtual screening and combinatorial fragment based approaches

2016
PMCID: 4861002
PMID: 27217775
DOI: 10.2147/OTT.S99671
call_split See protocol

[…] Combinatorial library was generated by using CombiGlide workflow of Schrödinger. These workflows can be used either as a prelude to combinatorial libraries’ design that may be screened for leads and identifying novel scaffolds, or generate focus […]

library_books

Identification of Novel Human Dipeptidyl Peptidase IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assays

2012
PLoS One
PMCID: 3440348
PMID: 22984596
DOI: 10.1371/journal.pone.0044971

[…] tential attachment positions of C5 for testing substituents that could improve the DPP-IV inhibitory activity by increasing the corresponding affinity for the target.The substituents available in the CombiGlide Diverse Side-chain Collection v1.2 (which contains all reasonable ionization and tautomeric states for a collection of 817 representative functional groups commonly found in pharmaceuticals […]

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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
call_split See protocol

[…] er 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 vers […]


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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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