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3D-QSAR, Docking, ADME/Tox studies on Flavone analogs reveal anticancer activity through Tankyrase inhibition

External Publications - Mon, 04/01/2019 - 11:00
... the synthetic accessibility was measured using the SYLVIA-XT 1.4 module ...

SOT 2019: Oral and poster presentations are online

Latest News - Tue, 03/19/2019 - 21:00
The presentations shown at the SOT 2019 conference in Baltimore, USA are available on our website.

How to Prepare a Compound Collection Prior to Virtual Screening

External Publications - Sat, 03/09/2019 - 11:00
... require a separate 3D conversion step ..., eg, using CORINA ...

Visit us at SOT 2019

Latest News - Mon, 02/25/2019 - 23:00
MN-AM.com is attending the upcoming 58th Annual Meeting and ToxExpo of the Society of Toxicology in Baltimore, MD, USA. We would like to invite you to visit our booth no. 2816 at the ToxExpo.

March 10 - 14, 2019: SOT 2019

Events - Mon, 02/25/2019 - 23:00
March 10 - 14, 2019: MN-AM.com is attending the upcoming 58th Annual Meeting and ToxExpo of the Society of Toxicology in Baltimore, MD, USA. We like to invite you to visit us at our booth no. 2816 at the ToxExpo, our COSMOS DB / ToxGPS Reception on Monday evening, our exhibitor-hosted session on ChemTunes.ToxGPS on Tuesday afternoon and our posters on Tuesday and Thursday.

A Quantum-Inspired Method for Three-Dimensional Ligand-Based Virtual Screening

External Publications - Mon, 01/28/2019 - 11:00
... coordinates for each structure initially using CORINA ...

Identification of enzyme(s) capable of degrading endosulfan and endosulfan sulfate using in silico techniques

External Publications - Fri, 01/04/2019 - 11:00
... and their three-dimensional structures were generated using CORINA ...

SAR study on inhibitors of GIIA secreted phospholipase A2 using machine learning methods

External Publications - Sun, 12/23/2018 - 11:00
... The molecules were represented by CORINA descriptors ...

Publication about the future of in silico chemical safety

Latest News - Sat, 12/22/2018 - 11:00
MN-AM is pleased to inform you about a new publication entitled 'The future of in silico chemical safety ... and beyond' by Andrew P. Worth

Publication about unlocking the potential of in silico chemical safety assessment

Latest News - Tue, 12/18/2018 - 11:00
MN-AM is pleased to inform you about a new publication entitled 'Unlocking the potential of in silico chemical safety assessment - A report on a cross-sector symposium on current opportunities and future challenges' by Mark T.D. Cronin, Judith C. Madden, Chihae Yang, and Andrew P. Worth

Drug target prediction using chem- and bioinformatics

External Publications - Sat, 11/24/2018 - 11:00
... Different programs, e.g. Corina ...

Release of CORINA Symphony Version 1.1

Latest News - Thu, 10/11/2018 - 11:00
Today, MN-AM announces the release of the new version 1.1 of the chemoinformatics application CORINA Symphony. With this version, CORINA Symphony optionally offers the calculation of quantum mechanical parameters based on the well-known and powerful semi-empirical molecular orbital program EMPIRE from Cepos InSilico.

Release of 3D Structure Generator CORINA Classic Version 4.2.0

Latest News - Mon, 10/01/2018 - 11:00
Today, MN-AM announces the release of the new version 4.2.0 of the 3D structure generator CORINA Classic. New features and improvements made CORINA Classic applicable to a broader range of chemistry, more robust and reliable with an increase in conversion performance and speed.

EUROTOX 2018: Oral and poster presentations are online

Latest News - Thu, 09/06/2018 - 11:00
The presentations shown at the EUROTOX 2018 conference in Brussels, Belgium are now available on our website.

MetScore: Site of Metabolism Prediction Beyond CYP P450 Enzymes

External Publications - Wed, 09/05/2018 - 11:00
... For all molecules, single 3D conformers were created with CORINA ...

Comparative analysis of machine learning based QSAR models and molecular docking studies to screen potential anti-tubercular inhibitors against InhA of mycobacterium tuberculosis

External Publications - Fri, 08/31/2018 - 11:00
... the datasets were subjected to Corina software for conversion of SMILE format into 3D SDF format ...

In silico identification of inhibitors against Plasmodium falciparum histone deacetylase 1 (PfHDAC-1)

External Publications - Tue, 08/14/2018 - 11:00
... These chemical libraries were first processed using CORINA v2.64 software package ...

Novel inhibitors of As(III) S-adenosylmethionine methyltransferase (AS3MT) identified by virtual screening

External Publications - Tue, 08/14/2018 - 11:00
...The Corina program ... was then used to generate 3D conformations for these standardized ...

October 11, 2018: Symposium Navigating In Silico Chemical Safety

Events - Tue, 08/14/2018 - 11:00
October 11, 2018: MN-AM is holding the one-day symposium Navigating In Silico Chemical Safety at the Friedrich-Alexander-University (FAU) in Erlangen, Germany. For the agenda and registration, please visit the symposium page.
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