Gianni De Fabritiis

Gianni De Fabritiis

Universitat Pompeu Fabra - Barcelona / Spain
Engineering & Technology / Computer Science
AD Scientific Index ID: 1401036
Pompeu Fabra University
person_outline Gianni De Fabritiis's MOST POPULAR ARTICLES
1-) Identification of slow molecular order parameters for Markov model construction The Journal of chemical physics 139 (1), 2013
2-) ACEMD: Accelerating biomolecular dynamics in the microsecond time scale Journal of Chemical Theory and Computation 5 (6), 1632-1639, 2009
3-) KDEEP: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks Journal of chemical information and modeling 58 (2), 287-296, 2018
4-) Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations Proceedings of the National Academy of Sciences 108 (25), 10184, 2011
5-) DeepSite: protein-binding site predictor using 3D-convolutional neural networks Bioinformatics 33 (19), 3036-3042, 2017