Explore MOE’s functionality in the following areas:Pharmacophore Discovery
~~~~~~~~~~~~~~~~~~~~~~~~~
Scaffold Replacement
Pharmacophore Elucidation
Pharmacophore Search
High Throughput Conformational Analysis
Pharmacophore Query Editor
Pharmacophore Consensus
Protein Modeling & Bioinformatics
~~~~~~~~~~~~~~~~~~~~~~~~~
Protein Structure & Family Databases
Fold Identification
Structural Family Analysis
Mutation & Rotamer Exploration
Multiple Alignment
Homology Modeling
Structural Quality Assessment
Medicinal Chemistry Applications
~~~~~~~~~~~~~~~~~~~~~~~~~
MOE/web
LigX : Ligand Explorer
Ligand:Protein Interaction Diagrams
Molecular Surfaces and Maps
Scaffold Replacement
Molecular Descriptors
Flexible Alignment of Small Molecules
Molecular Modeling & Simulations
~~~~~~~~~~~~~~~~~~~~~~~~~
Builders & Data Import/Export
Molecular Mechanics & Dynamics
Implicit Solvent Electrostatics
Conformational Analysis
Flexible Alignment of Small Molecules
Diffraction Simulation
Quantum Calculations
Structure-Based Design
~~~~~~~~~~~~~~~~~~~~~~~~~
Active Site Detection
Ligand:Protein Interaction Diagrams
Molecular Surfaces and Maps
Protonate3D
Ligand-Receptor Docking
Multi-Fragment Search
LigX : Ligand Explorer
Cheminformatics & QSAR
~~~~~~~~~~~~~~~~~~~~~~~~~
SD Pipeline Command Line Tools
Tautomer and Titration Enumeration
Molecular Descriptors
Similarity, Diversity & Fingerprints
High Throughput Conformational Search
QSAR/QSPR Predictive Modeling
Consensus Modeling
High Throughput Discovery
~~~~~~~~~~~~~~~~~~~~~~~~~
VSA Descriptors
HTS-Binary QSAR
Focused Combinatorial Library Design
Diverse Combinatorial Library Design
Combinatorial Library Enumeration
RECAP Analysis and Synthesis
Methods Development & Deployment
~~~~~~~~~~~~~~~~~~~~~~~~~
Scientific Vector Language (SVL)
Background Computing
Cluster Computing
Computer Platforms
Java Subsystem
MOE/web
0 comments:
Post a Comment