Concepedia

Gianni De Fabritiis

GD

96

Publications

11.7K

Citations

47

H-Index

1998

Active since

Affiliations

Universitat Pompeu Fabra(Current)

Barcelona Biomedical Research Park

Institució Catalana de Recerca i Estudis Avançats

Acellera (Spain)

Freie Universität Berlin

Gianni De Fabritiis is an author at Universitat Pompeu Fabra specializing in engineering, biophysics, and molecular dynamics.

ORCID

Top concepts

Publications per year

1998–2025

96

Publications

96

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

M J Harvey, G. Giupponi, Gianni De Fabritiis · Journal of Chemical Theory and Computation · 2009 · 939 citations

, , +17

<i>K</i><sub>DEEP</sub>: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks

José Jiménez-Luna, Miha Škalič, Gerard Martínez-Rosell et al. · Journal of Chemical Information and Modeling · 2018 · 928 citations · Full text

DeepSite: protein-binding site predictor using 3D-convolutional neural networks

Stefan Doerr, Gerard Martínez-Rosell, Alexander Rose et al. · Bioinformatics · 2017 · 791 citations · Full text

Identification of slow molecular order parameters for Markov model construction

Guillermo Pérez‐Hernández, Fabian Paul, Toni Giorgino et al. · 2013 · 720 citations

Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

Ignasi Buch, Toni Giorgino, Gianni De Fabritiis · Proceedings of the National Academy of Sciences · 2011 · 683 citations · Full text

Rows per page

1–5 of 96