گروه خدمات فنی مهندسی رهگشافن

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
drugcandidates. 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.