Attilio Vargiu
Affiliations: | 2018-2019 | Utrecht University, Utrecht, Netherlands |
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| Gervasoni S, Mehla J, Bergen CR, et al. (2023) Molecular determinants of avoidance and inhibition of MexB efflux pump. Mbio. e0140323 |
| Gervasoni S, Malloci G, Bosin A, et al. (2022) Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of . Physical Chemistry Chemical Physics : Pccp |
| Cacciotto P, Basciu A, Oliva F, et al. (2021) Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA. Computational and Structural Biotechnology Journal. 20: 252-260 |
| Cacciotto P, Basciu A, Oliva F, et al. (2021) Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA. Computational and Structural Biotechnology Journal. 20: 252-260 |
| Jandova Z, Vargiu AV, Bonvin AMJJ. (2021) Native or Non-Native Protein-Protein Docking Models? Molecular Dynamics to the Rescue. Journal of Chemical Theory and Computation |
| Basciu A, Vargiu AV, Malloci G, et al. (2021) In Silico Generation of Holo-Like Conformations of Very Flexible Allosteric Proteins Bearing Multiple Binding Sites Biophysical Journal. 120: 115a-116a |
| Basciu A, Malloci G, Koukos P, et al. (2020) EDES: A Protocol to Generate Holo-Like and Druggable Protein Conformations Starting from the APO Structure Biophysical Journal. 118: 44a |
| Basciu A, Koukos PI, Malloci G, et al. (2019) Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4. Journal of Computer-Aided Molecular Design |
| Basciu A, Malloci G, Pietrucci F, et al. (2019) Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape. Journal of Chemical Information and Modeling |
| Ramaswamy VK, Vargiu AV, Malloci G, et al. (2017) Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters. Scientific Reports. 7: 8075 |