Molegro KNIME extensions

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.