Hey All,
I want to screen some molecules against some set of targets. Know can any one suggest me how to proceed further except docking studies or may be anything could be done before or after docking studies.
I dont wanted to rely completely on docking energy as these results are universally accepted for good publications.
Also what about pharmacophore designing any software or suite freely available.
Waiting for reply which can help my project.
hi amit
i have recently went through some articles which states "pharmacophore modeling Vs docking result". i ll go through those articles thoroughly and let you know complete details regarding this. in its out line it states some thing like related to pharmacophore modeling like is better analysis tool for activity screening when compared to docking. i ll mail u those articles if u provide ur mail id
u can get ligand efficiancy in accelrys discovery studio 2.5.
i think even in schrodinger suite also it is available
You can do all that in Schrodinger. You can find out the G score, OSIRIS property, ADMET predictions and many more.
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