[Users-list] question !

[SMRITI KHANNA]

Dear Users,
 
 Could you please give me some information whether we can use the contours (hydrophobic and electrostatic contours ) obtained from GRID analysis as a part of some query probably that obtained from UNITY or DISCO or DISCOTech to carry out virtual screening??  or  is there some other means of adding some lipophilic or electrostatic surface property in such queries ??
 
 Sincerely,
 Smriti
 

                            Smriti Khanna Gulhane, PhD
 Laboratoire de Dynamique Moleculaire
 Institut de Biologie Structurale - Jean-Pierre Ebel (CEA/CNRS/UJF)
 41 rue Jules Horowitz 
 38027, Grenoble Cedex 1, FRANCE
 Tele: Office:  00 33 4 38 78 99 28
          Res:   00 33 4 76 25 16 81
 




		
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