BASCIU, ANDREA

BASCIU, ANDREA  

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Titolo Data di pubblicazione Autore(i) Rivista Editore
An enhanced-sampling MD-based protocol for molecular docking 4-feb-2020 - - Università degli Studi di Cagliari
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4 1-gen-2020 Basciu, A.; Koukos, P. I.; Malloci, G.; Bonvin, A. M. J. J.; Vargiu, A. V. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN -
Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape 1-gen-2019 Basciu, A.; Malloci, G.; Pietrucci, F.; Bonvin, A. M. J. J.; Vargiu, A. V. JOURNAL OF CHEMICAL INFORMATION AND MODELING -
Molecular Interactions of Cephalosporins with the Deep Binding Pocket of the RND Transporter AcrB 1-gen-2019 Atzori, Alessio; Malloci, Giuliano; Dahyabhai Prajapati, Jigneshkumar; Basciu, Andrea; Bosin, Andrea; Kleinekathöfer, Ulrich; Dreier, Jürg; Vargiu, Attilio V.; Ruggerone, Paolo JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL -
Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA 1-gen-2022 Cacciotto, P.; Basciu, A.; Oliva, F.; Malloci, G.; Zacharias, M.; Ruggerone, P.; Vargiu, A. V. COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL -
No dance, no partner! A tale of receptor flexibility in docking and virtual screening 1-gen-2022 Basciu, A.; Callea, L.; Motta, S.; Bonvin, A. M. J. J.; Bonati, L.; Vargiu, A. V. ANNUAL REPORTS IN MEDICINAL CHEMISTRY Academic Press
Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies? 1-gen-2023 Athar, Mohd; Gervasoni, Silvia; Catte, Andrea; Basciu, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, Attilio Vittorio MICROBIOLOGY -