molecular operating environment installation directory

#MOLECULAR OPERATING ENVIRONMENT INSTALLATION DIRECTORY MAC OS#
#MOLECULAR OPERATING ENVIRONMENT INSTALLATION DIRECTORY PORTABLE#
#MOLECULAR OPERATING ENVIRONMENT INSTALLATION DIRECTORY SOFTWARE#

MOE has a suite of applications for computer aided biologics design including a workflow oriented interface for streamlined visualization and analysis. Key features include: Visualize and Analyze Non-Bonded Interactions, Protein-Ligand Interaction Diagrams, Surfaces and Maps, Conformational Search and Analysis, Flexible Alignment of Multiple Molecules, Scaffold Replacement, Growing and Fragment Linking, Pharmacophore Discovery, SAReport, Molecular Descriptors for QSAR, Virtual Library Builder. MOE has a streamlined interface for active site visualization and ligand optimization. Pharmacophore methods use a generalized molecular recognition representation and geometric constraints to bypass the structural or chemical class bias of 2D methods. Pharmacophore modeling is a powerful means to generate and use 3D information to search for novel active compounds, particularly when no receptor geometry is available. MOE contains a suite of pharmacophore discovery applications used for fragment-, ligand- and structure-based design projects. MOE's pharmacophore applications are integrated into the fragment based design protocol which provides an effective methodology for generating novel structures while preserving key interactions. MOE has a unified framework for fragment-based and de novo design applications which can be applied to both ligand- and structure-based design projects. Key features include: Active Site Detection, Protein:Ligand Interaction Diagrams, Streamlined Interface for Ligand Optimization, Contact Statistics/Electrostatic and Interaction Maps, Solvent Analysis with 3D-RISM, Scaffold Replacement, Ligand:Receptor Docking, Multi-Fragment Search, Automated Structure Preparation. These applications are used to suggest improvements to ligands or screen ligand databases for candidate binders. MOE has a collection of applications for visualizing and understanding details of receptor active sites and receptor-ligand interactions.

#MOLECULAR OPERATING ENVIRONMENT INSTALLATION DIRECTORY PORTABLE#

SVL source code is compiled to a 'byte code' representation, which is then executed by the base run-time environment making SVL programs inherently portable across different computer hardware and operating systems. SVL is a concise, high-level language whose programs are typically 10 times smaller than their equivalent when compared to C or Fortran. It is a 'chemistry aware' computer programming language with over 1,000 specific functions for analyzing and manipulating chemical structures and related molecular objects. SVL is the built-in command, scripting and application development language of MOE. The Scientific Vector Language (SVL) is at the heart of MOE's flexibility.

Main application areas in MOE include structure-based design, fragment-based design, pharmacophore discovery, medicinal chemistry applications, biologics applications, protein and antibody modeling, molecular modeling and simulations, cheminformatics & QSAR.

#MOLECULAR OPERATING ENVIRONMENT INSTALLATION DIRECTORY MAC OS#

MOE runs on Windows, Linux, Unix, and MAC OS X. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical, biotechnology and academic research.

#MOLECULAR OPERATING ENVIRONMENT INSTALLATION DIRECTORY SOFTWARE#

MOE (Molecular Operating Environment) is a leading drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package.

Molecular operating environment installation directory