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至尊木虫 (正式写手)

压力山大

应助: 32 (小学生)
金币: 15484.4
红花: 10
帖子: 944
在线: 1637.5小时
虫号: 779723
注册: 2009-05-26
专业: 有机分子功能材料化学

[交流] Schrodinger Suite 2010 已有2人参与

Schrodinger is a suite of molecular modeling packages that take advantage of the latest technological advances in computational chemistry. Jaguar, the high-performance ab-initio quantum mechanics application, and MacroModel, the most trusted name in molecular modeling, have been widely applied to address the full range of chemical research from materials to life sciences. Strike is a chemically aware statistical package for examining structure-property relationships. QSite is a powerful QM/MM application for studying reaction mechanisms in a variety of systems, such as protein active sites.

Also, Schrodinger provides a complete suite of software that addresses the challenges in pharmaceutical research. For structure-based drug design, Prime is an accurate protein structure prediction package; Glide performs accurate, rapid ligand-receptor docking; and Liaison predicts binding affinity. Schrodinger also provides Phase for ligand-based pharmacophore modeling, and QikProp for ADME properties prediction of drug candidates. In addition, LigPrep is a rapid 2D to 3D conversion program that can prepare ligand libraries for further computational analyses. And most recently, Schrodinger introduced CombiGlide for focused library design, and Epik for accurate enumeration of ligand protonation states in biological conditions. Finally, Maestro is the graphical user interface for all of Schrodinger\�s computational programs and provides a powerful, fully-integrated molecular visualization and analysis environment.

Homepage: http://www.schrodinger.com/

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