Molegro는 빠른 drug-development 를 위해 고안된 high-performance drug discovery solutions 입니다.
http://www.molegro.com
products
- Molegro Virtual Docker : Software for drug discovery
- Molegro Molecular Viewer : Freeware Protein - Ligand visualization
- Molegro Data Modeller : Data Modelling, Mining, and Visualization
Feature
1. Molegro Virtual Docker (Version 3.0.0 (September 25th, 2008))
- : protein - ligand interactions 예측 프로그램
High docking accuracy: the docking engine has been proven to correctly identify binding modes with high accuracy. Molegro Virtual Docker has been shown to outperform other docking programs with regard to identification of correct binding modes.
Easy-to-use interface: the built-in wizards enable the user to easily setup and perform docking runs. Advanced visualization and analysis tools are provided to examine ligand-receptor interactions and fine-tune found docking solutions.
Cross-platform: supported on Linux, Windows and Mac, allowing easy interoperability between platforms.
2. Molegro Molecular Viewer (Version 1.2.0 (November 11th, 2008))
- : Molegro Virtual Docker 결과나 일반 molecule(PDB, Mol2, SDF)의 visualization을 위한 프로그램.
- Free!
- Cross-platform: Windows, Linux, and Mac OS X is supported.
- Share and view results from Molegro Virtual Docker docking runs.
- Imports and exports PDB, SDF, Mol2, and MVDML files.
- Automatic preparation of molecules.
- Molecular surface and backbone visualization.
- Labels, sequence viewer and biomolecule generator.
- Cropping of molecules and clipping planes.
- Structural protein alignment.
- : Molegro Virtual Docker 결과나 일반 molecule(PDB, Mol2, SDF)의 visualization을 위한 프로그램.
3.Molegro Data Modeller (Version 2.0.0 (January 16th, 2009))
- : Data Mining, Data Modelling, 그리고 Data Visualization을 위한 통합 프로그램.
- Regression: Multiple Linear Regression, Partial Least Squares, Support Vector Machines, and Neural Networks.
- Classification: K-Nearest-Neighbors and Support Vector Machines
- Chemistry: 2D depictions in spreadsheets and plots. SDF and SMILES support.
- Feature selection and cross-validation is simple to set up and use (using built-in wizards).
- Automated fine-tuning of regression model parameters (using grid-based search).
- Principal Component Analysis (PCA).
- Visualization: Histograms, 2D scatter plots, 3D plots, and Spring-Mass Maps.
- Clustering: K-means clustering and density-based clustering.
- Built-in algebraic data transformation tool.
- Outlier Detection.
- Similarity Browser.
- Correlation Matrix dialog including descriptor pruning.
- Sophisticated subset creation: create diverse subsets by sampling from n-dimensional grids.
- Cross-platform: Windows, Linux, and Mac OS X is supported.
- : Data Mining, Data Modelling, 그리고 Data Visualization을 위한 통합 프로그램.
