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Molecular Operating Environment v2008.10 英文正式版(藥物研發可視化仿真)

破解說明:
1. Check Shooters dir
內容說明:
Molecular Operating Environment (MOE 藥物研發可視化仿真)

MOE :藥物研發可視化仿真環境

MOE (Molecular Operating Environment )
是藥物研發環境，它具有可視化特點，用於藥物與方法的研發仿真。MOE應用範圍廣泛，
用戶包括全球各地生物技術和製藥企業組織。MOE使用自成一體的編程系統，以及SVL
(Scientific Vector
Language,科學向量語言)。SVL是一種化學專業易於接受的腳本語言，專門用於生命科學
的應用開發。

MOE 由以下幾個功能部件構成：

* Pharmacophore Discovery 藥效發現
* Protein Modeling & Bioinformatics 蛋白質建模與生物資訊學
* Medicinal Chemistry Applications 藥物化學應用
* Molecular Modeling & Simulations 分子建模與仿真
* Structure-Based Design 基於結構的設計
* Cheminformatics & QSAR 化學資訊學及構效關係

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
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