MOLECULAR OPERATING ENVIRONMENT.pptx

olecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical, biotechnology and academic research.

1. Chemical Computing Group Developed by CCG CCG  is a leading developer and provider of different tools. CCG   has team of expert mathematicians, scientist and software engineers.

2. Molecular Operating Environment Drug discovery software Visualization Modeling and Simulation Methodology Development

3. Operating Platforms Windows Linux Unix macOS

4. Coding Language The Scientific Vector Language ( SVL ) is the built-in command, scripting and application development language of MOE . SVL is created by CCG It was first released in 1994

5. Scientific Applications Biologists Medicinal Chemists and computational Chemists in pharmaceutical Biotechnology Academic Researchers

6. Main Application Areas Structure Based Design Fragment Based Design Pharmacophore Medicinal Chemistry Application Biological Application Protein and Antibody Modeling Molecular Modeling and simulation Cheminformatics and QSAR

7. Docking Using MOE Choose and download Protein of interest in PDB format Removed ligands and solvent Added Hydrogen Energy Minimize Find compounds against that Protein Downloaded in SDF format Minimize energy Create Library and save them

8. PDB Library

9. Docking Using MOE

10. Docking Using MOE Select the site for docking Perform docking Required ligands of each compound created Check the interaction of each ligand with protein

11. Protein Ligand Interaction