Molegro Virtual Docker

Education, 21504 KB, Molegro Virtual Docker, Teaching Tools, Molegro



vers 4.3 Molegro Virtual Docker



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%). Highlights of Molegro Virtual Docker: - Automated preparation of molecular structures - Active site prediction - Similarity Docking for flexible ligand alignment and focused template docking - Data Analyzer for creating regression models (using neural networks or MLR), visualizing data, and performing feature selection - Docking with sidechain flexibility (taking induced fit interactions into account) - Sidechain Minimization Tool for optimizing receptor conformations before docking - Many more features


Best on Mac molegro_virtual_docker_4.4_swjeg.app (19353 kb)
Best High Sierra Qal-Molegro-Virtual-Docker-ver-4.7.tar.gz (18708 kb)
Recomended OS X 1SYoxq-Molegro-Virtual-Docker-ver-4.5.app (25159 kb)


Molegro
http://www.molegro.com/mvd-product.php



Recomended on High Sierra GjGmD_2.3_Power_On_Time.zip (4686 KB) 2.5
MacOS QR-Encode-ver-1.6-jJeU.pkg (925 KB) 1.9

| 23869 kbytes | Software vAceH Molegro Virtual Docker version 4.6 4.7 Version MacBook Pro