Francesca Alessandra Ambrosio

Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4

Léa El Khoury, Diogo Santos‐Martins, Sukanya Sasmal et al. · Journal of Computer-Aided Molecular Design · 2019 · 74 citations · Full text

Molecular Docking, Drug Target, Medicine +9

AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions

Juan Pablo Arcon, Carlos P. Modenutti, Demian Avendaño et al. · Bioinformatics · 2019 · 71 citations · Full text

Engineering, Molecular Biology, Implementation Autodock Bias +23

Update on SARS-CoV-2 Omicron Variant of Concern and Its Peculiar Mutational Profile

Mohammad Alkhatib, Romina Salpini, Luca Carioti et al. · Microbiology Spectrum · 2022 · 60 citations · Full text

D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU

Diogo Santos‐Martins, Jérôme Eberhardt, Giulia Bianco et al. · Journal of Computer-Aided Molecular Design · 2019 · 37 citations · Full text

Prospective Pose Prediction, Medicine, Natural Sciences +7

A computer-assisted discovery of novel potential anti-obesity compounds as selective carbonic anhydrase VA inhibitors

Giosuè Costa, Fabrizio Carta, Francesca Alessandra Ambrosio et al. · European Journal of Medicinal Chemistry · 2019 · 33 citations · Full text

Medicinal Chemistry, Bioorganic Chemistry, Biochemistry +9