xyz軟體王

Tripos Benchware Muse v2.0 LINUX 英文正式版(全新藥物設計軟體)




破解說明:安裝完成後，請將光碟 \Lz0 目錄下的檔案，複製到主程式的
安裝目錄內中即可破解!



軟體簡介:



Tripos Benchware Muse v2.0 LINUX 英文正式版(全新藥物設計軟體)










官方網站：http://tripos.com/index.php?family=modules,SimplePage,BW_Muse

軟體簡介：
MUSE是一個全新藥物設計工作流，其使得用戶可以解決有機化學上的問題直至獲得更
多新穎的類藥化合物。MUSE自帶了基於配體的打分函數，對於一組先導化合物，可以
對其優化得到與之在形狀與藥效團性質上類似的新穎類藥化合物。
成功的藥物設計候選物應該考慮到：靶點的藥效、靶點的選擇性、良好的ADME性質、
毒性等。MUSE允許生成這樣的新穎類藥化合物，其可以滿足多重藥物設計的參數。
有了MUSE，你還可以將其他的計算性質整合進來，並利用這些來優化設計新的類藥化
合物。這些性質可以是用公司內部的或第三方的打分函數（比如血腦屏障透過率、ADME
性質、毒性、對接等等...）來生成，這樣你就可以輕而易舉地產生滿足多重設計指
標的新穎類藥化合物。

MuseR is a molecular design workflow designed to accelerate the identification
and optimization of lead candidates. Using Muse, CADD Scientists and Medicinal
Chemists identify novel structures, scaffolds, or side-chains that meet specific
design objectives. with Muse, scientists can:

Explore Lead- and Scaffold-Hopping
Invent New R-Groups around a fixed scaffold
Generate ideas that meet multiple design criteria
Easily integrate in-house or 3rd party scoring methods for use as design criteria
Muse uses ligand-based scoring to generate ideas that optimize the shape and
pharmacophoric similarity to a set of lead structures, and comes with TupletScore,
a robust scoring function, so users can immediately begin invention experiments.

TupletScore uses flexible templates and is valuable in situations where the
conformation of the lead or active structures is unknown and also when the binding
modes for the lead compounds is unknown. TupletScore takes into account Pharmacophore
and Unity Tanimoto fingerprint similarity.