Imbernón, Baldomero; Prades Gasulla, Javier; Gimenez Canovas, Domingo; Cecilia, J. M.; Silla Jiménez, Federico(Elsevier, 2018-02)
[EN] Virtual Screening (VS) methods can considerably aid clinical research by predicting how ligands interact with pharmacological targets, thus accelerating the slow and critical process of finding new drugs. VS methods ...
[EN] This study aimed to identify potential BCL-2 small molecule inhibitors using deep neural networks (DNN) and random forest (RF), algorithms as well as molecular docking and molecular dynamics (MD) simulations to screen ...