BIOINFORMATICS

Molegro KNIME extensions

22 March 2011

Molegro

New versions of Molegro Virtual Docker (MVD), Molegro Molecular Viewer (MMV), and Molegro Data Modeller (MDM) have been released, all with support for the open-source KNIME (Konstanz Information Miner) platform. The support for KNIME workflows makes it possible to interface and automate workflows, and setup tasks such as protein-ligand docking using Molegro Virtual Docker; molecule visualisation using Molegro Molecular Viewer; and applying regression or classification models created by Molegro Data Modeller.

In addition, the integration with KNIME enables Molegro's products to integrate with existing third-party software, such as accessing company databases, preparing ligands, or calculating molecular descriptors.

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