xREL.v3

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S H O O T E R S   P R E S E N T S

Molecular.Operating.Environment.v2007.09-SHooTERS


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

http://www.chemcomp.com/software.htm


1.) unpack the files
2.) burn or mount the image
3.) install
4.) Check Shooters dir !
If you cant get it - you are not worth it...
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Greetings to : Oddity,Paradox,ENiGMA,ViRiLiTY,nGEN and NULL !!

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