Molecular simulation and drug design software CCG MOE v2014.0901

Molecular simulation and drug design software CCG MOE v2014.0901
MOE: Molecular Operating environment

MOE-Structured design
Structure-based design
Event site Detection
Protein: Ligand interaction diagram
A streamlined interface for ligand optimization
Contact information statistics, electrostatic and interactive maps
Solvent Analysis and 3d-rism
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Ligand: receptor docking
Multi-Fragment Search
Automated structure Preparation
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MOE-Fragment-based design
Fragment-based design
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Ligand hybridization
Fragment Linking and growth
Chemical conversion of pharmaceuticals
Automatic filtering and scoring
Fragment Database

MOE-Drug discovery
Discover efficacy
Ligand and structure-based query Editor
Automatically generates efficacy
Construction Database
Virtual Filter
Ligand and structure-based stent replacement

The application of MOE-pharmaceutical chemistry
Application in pharmaceutical chemistry
Streamlined interface for structure-based optimization of the ligand
Visualize and analyze non-bonded interactions
Protein-Ligand interaction diagram
Surfaces and maps
Conformation Search and Analysis
Multi-molecule alignment flexibility
Stent replacement, growth and fragment links
Discover efficacy
Sareport
Molecular descriptor Qsar
Virtual Library Builder

MOE-Biologics Applications
Biological agent Applications
Visualization and analysis of all proteins and interfaces
2D Protein interaction Diagram
Exploration of mutation and rotational isomers
Sequence Analyzer and editor
Protein Engineering
Antibody fusion protein Modeling
The nature of the protein
Advanced Molecular Simulations

MOE-Protein and antibody modeling
Protein and antibody modeling
Protein Structure Database
Remote homology and folding recognition
Multi-sequence/structure comparison and analysis
Exploration of mutation and rotational isomers
Protein and antibody structure prediction
The Advanced ring conformation occurs
Evaluation of the geometrical quality of proteins
Automated structure Preparation

MOE-Molecular Modeling and simulation
Molecular Modeling and Simulation
Automated structure Preparation
Molecular mechanics
Molecular dynamics
Conformation Search and Analysis
Quantum mechanics and semi-empirical computing
Multi-molecule alignment flexibility

MOE-Chemical information Science and QSAR
Chemical Information Science and QSAR
Powerful Database Viewer and integrated workflow
Import, prepare, filter, sort, merge, and export molecular data
Combined library design
Molecular description
Qsar and QSPR Modeling
Similarity, diversity and fingerprints
Sareport

MOE-Method development and deployment
Method development and deployment
Platform-Independent
Scientific Vector language
Moe/web Application Framework
Moe Extended Knime
moe/Batch Background parallel processing
Moe/java Interoperability network resources

Molecular simulation and drug design software CCG MOE v2014.0901