| DockBench: an integrated informatic platform bridging the gap between the robust validation of docking protocols and virtual screening simulations A Cuzzolin, M Sturlese, I Malvacio, A Ciancetta, S Moro Molecules 20 (6), 9977-9993, 2015 | 52 | 2015 |
| Water-mediated interactions enable smooth substrate transport in a bacterial efflux pump AV Vargiu, VK Ramaswamy, I Malvacio, G Malloci, U Kleinekathöfer, ... Biochimica et Biophysica Acta (BBA)-General Subjects 1862 (4), 836-845, 2018 | 49 | 2018 |
| Computer simulations of the activity of RND efflux pumps AV Vargiu, VK Ramaswamy, G Malloci, I Malvacio, A Atzori, P Ruggerone Research in microbiology 169 (7-8), 384-392, 2018 | 40 | 2018 |
| TD-DFT calculations of UV absorption bands and their intensities in the spectra of some tetrahydroquinolines MV Cooke, I Malvacio, WJ Peláez, AJ Pepino, MR Mazzieri, GA Argüello RSC Advances 5 (33), 26255-26262, 2015 | 15 | 2015 |
| Molecular basis for the different interactions of congeneric substrates with the polyspecific transporter AcrB I Malvacio, R Buonfiglio, N D'Atanasio, G Serra, A Bosin, FP Di Giorgio, ... Biochimica et Biophysica Acta (BBA)-Biomembranes 1861 (7), 1397-1408, 2019 | 12 | 2019 |
| Gas-phase synthesis of 3-carboethoxy-quinolin-4-ones. A comprehensive computational mechanistic study to uncover the dark side of the Gould–Jacobs reaction I Malvacio, EL Moyano, DMA Vera RSC advances 6 (87), 83973-83981, 2016 | 12 | 2016 |
| Microwave assisted synthesis of ethyl-quinolon-4-one-3-carboxylates and hydrolysis to quinolon-4-one-3-carboxylic Acids I Malvacio, E L Moyano Current Microwave Chemistry 1 (1), 52-58, 2014 | 11 | 2014 |
| Synthesis and preliminary structure-activity relationship study of 2-aryl-2H-pyrazolo[4,3-c]quinolin-3-ones as potential checkpoint kinase 1 (Chk1) inhibitors I Malvacio, A Cuzzolin, M Sturlese, DMA Vera, EL Moyano, S Moro Journal of enzyme inhibition and medicinal chemistry 33 (1), 171-183, 2018 | 5 | 2018 |
| Molecular Insights on the Recognition of Substrates by the Promiscuous Efflux Pump AcrB I Malvacio, R Ombrato, P Ruggerone, AV Vargiu Biophysical Journal 112 (3), 336a-337a, 2017 | | 2017 |
| Diversos enfoques en la síntesis y modelado computacional de estructuras conteniendo el núcleo de quinolona I Malvacio | | |
