Molecular Operating Environment 2008 10 1 cd

Molecular Operating Environment 2008 10 1 cd

Explore MOEs 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

chemcomp/software.htm


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