Chemical Computing Group Inc. (CCG) announced the general release of the 2022.02 version of the Molecular Operating Environment (MOE). The 2022.02 release contains new technologies for scFv and Custom Antibody Homology Models, GPU-Acceleration, Hydrogen Mass Repartitioning and also Database Viewer Enhancements.
MOE 2022.02 Latest Features
– On-the-fly Browser-based Combinatorial Library Enumeration
– scFv and Custom Antibody Homology Models
– GPU-accelerated Protein Modeling and Protein-Protein Docking
– Hydrogen Mass Repartitioning for Accelerating MD and TI
– Database Viewer SNFG Display, Graphic Objects, and Enhanced Plotting
The Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulation, and method development in one package. It is a comprehensive software system developed by the Chemical Computing Group ULC. Member of the Canadian Chemical Computing Group. MOE scientific applications are used by biologists, medicinal chemists, and computational chemists in pharmaceutical, biotechnology, and academic research. MOE runs on Windows, Linux, Unix and macOS. Key application areas for MOEs include structure-based design, fragment-based design, pharmacophore discovery, medicinal chemistry applications, biologics applications, protein and antibody modeling, molecular modeling and simulation, cheminformatics, and QSAR. Scientific Vector Language (SVL) is MOE’s built-in command, scripting, and application development language. SVL, or Scientific Vector Language, is a portable high-performance programming language built into MOE. SVL is a vectorized command language, scripting language, and application programming language.
MOE’s latest release continues the development of its comprehensive package of applications for computer-aided molecular design. MOE 2022.02 can produce scFv and other custom antibody homology models, and existing applications which include sidechain packing and protein-protein docking, can now make use of GPU-acceleration. Molecular Dynamics and Thermodynamic Integration techniques used either in MOE or through its interface can now benefit from the application of Hydrogen Mass Repartitioning.
It describes how we can doc our compounds inside active site of proteins/enzymes
Chemical Computing Group Inc. is a leading supplier of scientific software solutions for Life Sciences and has been operating since 1994. Chemical Computing Group’s drug discovery software platform is the Molecular Operating Environment (MOE) that integrates visualization, simulations and methodology development in one package. Together with PSILO, CCG’s products and services are used by biologists, medicinal chemists and computational chemists in many pharmaceutical and biotechnology companies, government organizations and universities throughout the world. Chemical Computing Group is headquartered in Montreal, Canada.
Product: Chemical Computing Group MOE (Molecular Operating Environment)
Supported Architectures: x64
Website Home Page : http://www.chemcomp.com
Languages Supported: english
System Requirements: Linux *
Size: 7.8 Gb