未登录DompeKeys: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
Manelfi, Candida; Tazzari, Valerio; Lunghini, Filippo; Cerchia, Carmen; Fava, Anna; Pedretti, Alessandro; Stouten, Pieter F. W.; Vistoli, Giulio; Beccari, Andrea Rosario
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收藏MEDIATE-Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions
Vistoli, Giulio; Manelfi, Candida; Talarico, Carmine; Fava, Anna; Warshel, Arieh; Tetko, Igor V.; Apostolov, Rossen; Ye, Yang; Latini, Chiara; Ficarelli, Federico; Palermo, Gianluca; Gadioli, Davide; Vitali, Emanuele; Varriale, Gaetano; Pisapia, Vincenzo; Scaturro, Marco; Coletti, Silvano; Gregori, Daniele; Gruffat, Daniel; Leija, Edgardo; Hessenauer, Sam; Delbianco, Alberto; Allegretti, Marcello; Beccari, Andrea R.
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