Single-molecule detection with a millimetre-sized transistor E Macchia, K Manoli, B Holzer, C Di Franco, M Ghittorelli, F Torricelli, ... Nature communications 9 (1), 3223, 2018 | 225 | 2018 |
CoMPARA: collaborative modeling project for androgen receptor activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental Health Perspectives 128 (2), 027002, 2020 | 150 | 2020 |
CATMoS: collaborative acute toxicity modeling suite K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, ... Environmental health perspectives 129 (4), 047013, 2021 | 101 | 2021 |
Revealing the origins of mechanically induced fluorescence changes in organic molecular crystals L Wilbraham, M Louis, D Alberga, A Brosseau, R Guillot, F Ito, F Labat, ... Advanced Materials 30 (28), 1800817, 2018 | 94 | 2018 |
De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization A Domenico, G Nicola, T Daniela, C Fulvio, A Nicola, N Orazio Journal of Chemical Information and Modeling 60 (10), 4582-4593, 2020 | 75 | 2020 |
A new approach for drug target and bioactivity prediction: the multifingerprint similarity search algorithm (MuSSeL) D Alberga, D Trisciuzzi, M Montaruli, F Leonetti, GF Mangiatordi, ... Journal of chemical information and modeling 59 (1), 586-596, 2018 | 72 | 2018 |
Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: insights from theory D Alberga, A Perrier, I Ciofini, GF Mangiatordi, G Lattanzi, C Adamo Physical Chemistry Chemical Physics 17 (28), 18742-18750, 2015 | 68 | 2015 |
Theoretical investigation of hole transporter materials for energy devices D Alberga, GF Mangiatordi, F Labat, I Ciofini, O Nicolotti, G Lattanzi, ... The Journal of Physical Chemistry C 119 (42), 23890-23898, 2015 | 51 | 2015 |
A new gating site in human aquaporin-4: Insights from molecular dynamics simulations D Alberga, O Nicolotti, G Lattanzi, GP Nicchia, A Frigeri, F Pisani, ... Biochimica et Biophysica Acta (BBA)-Biomembranes 1838 (12), 3052-3060, 2014 | 51 | 2014 |
Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein GF Mangiatordi, D Trisciuzzi, D Alberga, N Denora, RM Iacobazzi, ... European Journal of Medicinal Chemistry 139, 792-803, 2017 | 50 | 2017 |
Effects of annealing and residual solvents on amorphous P3HT and PBTTT films D Alberga, GF Mangiatordi, L Torsi, G Lattanzi The Journal of Physical Chemistry C 118 (16), 8641-8655, 2014 | 43 | 2014 |
Effects of substituents on transport properties of molecular materials for organic solar cells: a theoretical investigation D Alberga, I Ciofini, GF Mangiatordi, A Pedone, G Lattanzi, J Roncali, ... Chemistry of Materials 29 (2), 673-681, 2017 | 35 | 2017 |
Accelerating drug discovery by early protein drug target prediction based on a multi-fingerprint similarity search M Montaruli, D Alberga, F Ciriaco, D Trisciuzzi, AR Tondo, GF Mangiatordi, ... Molecules 24 (12), 2233, 2019 | 34 | 2019 |
Prediction of acute oral systemic toxicity using a multifingerprint similarity approach D Alberga, D Trisciuzzi, K Mansouri, GF Mangiatordi, O Nicolotti Toxicological Sciences 167 (2), 484-495, 2019 | 34 | 2019 |
A rational approach to elucidate human monoamine oxidase molecular selectivity GF Mangiatordi, D Alberga, L Pisani, D Gadaleta, D Trisciuzzi, R Farina, ... European Journal of Pharmaceutical Sciences 101, 90-99, 2017 | 34 | 2017 |
Organic bioelectronics probing conformational changes in surface confined proteins E Macchia, D Alberga, K Manoli, GF Mangiatordi, M Magliulo, G Palazzo, ... Scientific reports 6 (1), 28085, 2016 | 32 | 2016 |
ClC‐1 mutations in myotonia congenita patients: insights into molecular gating mechanisms and genotype–phenotype correlation P Imbrici, L Maggi, GF Mangiatordi, MM Dinardo, C Altamura, R Brugnoni, ... The Journal of physiology 593 (18), 4181-4199, 2015 | 31 | 2015 |
Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data D Trisciuzzi, D Alberga, K Mansouri, R Judson, S Cellamare, M Catto, ... Future Medicinal Chemistry 7 (14), 1921-1936, 2015 | 31 | 2015 |
Predictive structure-based toxicology approaches to assess the androgenic potential of chemicals D Trisciuzzi, D Alberga, K Mansouri, R Judson, E Novellino, ... Journal of chemical information and modeling 57 (11), 2874-2884, 2017 | 29 | 2017 |
Enhancing the sensitivity of biotinylated surfaces by tailoring the design of the mixed self-assembled monolayer synthesis D Blasi, L Sarcina, A Tricase, A Stefanachi, F Leonetti, D Alberga, ... ACS omega 5 (27), 16762-16771, 2020 | 28 | 2020 |