• Article  

      Ligand - Based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks 

      Afantitis, Antreas; Melagraki, G.; Koutentis, Panayiotis Andreas; Sarimveis, H.; Kollias, G. (2011)
      In this work we have developed an in silico model to predict the inhibition of β-amyloid aggregation by small organic molecules. In particular we have explored the inhibitory activity of a series of 62 N-phenylanthranilic ...
    • Article  

      LiSIs: An online scientific workflow system for virtual screening 

      Kannas, Christos C.; Kalvari, Ioanna; Lambrinidis, George; Neophytou, Christiana M.; Savva, Christiana G.; Kirmitzoglou, Ioannis K.; Antoniou, Zinonas C.; Achilleos, Kleo G.; Scherf, D.; Pitta, Chara A.; Nicolaou, Christos A.; Mikros, Emmanuel; Promponas, Vasilis J.; Gerhauser, C.; Mehta, R. G.; Constantinou, Andreas I.; Pattichis, Constantinos S. (2015)
      Modern methods of drug discovery and development in recent years make a wide use of computational algorithms. These methods utilise Virtual Screening (VS), which is the computational counterpart of experimental screening. ...
    • Article  

      LiSIs: An online scientific workflow system for virtual screeningAAA 

      Kannas, Christos C.; Kalvari, Ioanna; Lambrinidis, George; Neophytou, Christiana M.; Savva, Christiana G.; Kirmitzoglou, Ioannis K.; Antoniou, Zinonas C.; Achilleos, Kleo G.; Scherf, D.; Pitta, Chara A.; Nicolaou, Christos A.; Mikros, Emmanuel; Promponas, Vasilis J.; Gerhauser, C.; Mehta, R. G.; Constantinou, Andreas I.; Pattichis, Constantinos S. (2015)
      Modern methods of drug discovery and development in recent years make a wide use of computational algorithms. These methods utilise Virtual Screening (VS), which is the computational counterpart of experimental screening. ...