Tags :Molegro

Molegro Virtual Docker is an integrated platform for predicting protein – ligandinteractions. It handles all aspects of the process, from preparing the molecules todetermining the potential binding site of the target protein, and predicting the bindingmode of the ligand.Molegro Virtual Docker offers high-quality docking based on a novel optimizationtechnique combined with a user interface experience focusing on usability andproductivity.Molegro Virtual Docker at a GlanceHigh docking accuracy: the dockingEasy-to-use interface: the built-inengine has been proven to correctlywizards enable the user to easily setupidentify binding modes with highand perform docking runs. Advancedaccuracy (see next page).visualization and analysis tools areprovided to examine ligand-receptorVersatile features including induced fitinteractions and fine-tune founddocking (sidechain flexibility), ligand-docking solutions.based screening based on structuralsimilarity, flexible alignment of smallCross-platform: supported...

Molegro Virtual Docker is an integrated platform for predicting protein – ligand interactions. Molegro Virtual Docker handles all aspects of the docking process from preparation of the molecules to determination of the potential binding sites of the target protein, and prediction of the binding modes of the ligands. Molegro Virtual Docker offers high-quality docking based on a novel optimization technique combined with a user interface experience focusing on usability and productivity. The Molegro Virtual Docker (MVD) has been shown to yield higher docking accuracy than other state-of-the-art docking products (MVD: 87%, Glide: 82%, Surflex: 75%, FlexX: 58%). Molegro Virtual Docker provides * High docking accuracy: the docking engine has been proven to correctly identify binding modes with high accuracy. Molegro...

Molegro Data Modeller – Modelling, mining, and visualization Multiple Linear Regression, Partial Least Squares, Support Vector Machines, and Neural Networks. Principal Component Analysis, Clustering, and Outlier Detection. Feature selection and automated parameter tuning of regression models. Histogram, 2D, and 3D plots. High-dimensional data visualization using Spring-Mass Maps. product:Molegro Data Modeller 2008 1.5.0 Lanaguage:english Platform:Winxp/Win7 Size:10MB

Molegro Virtual Docker – Software for drug discovery Protein-Ligand docking. Similarity screening (template docking). Induced fit docking. Create regression models using built-in data analyzer (neural nets and MLR). Cavity prediction. product:Molegro Virtual Docker 2008_2.4.0 Lanaguage:english Platform:Winxp/Win7 Size:17MB