CERAPP: collaborative estrogen receptor activity prediction project K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ... Environmental health perspectives 124 (7), 1023-1033, 2016 | 313 | 2016 |
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 | 139 | 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 | 89 | 2021 |
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 | 73 | 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 | 68 | 2020 |
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 | 47 | 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 |
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 | 33 | 2017 |
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 |
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 | 30 | 2019 |
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 | 28 | 2017 |
Mind the gap! A journey towards computational toxicology GF Mangiatordi, D Alberga, CD Altomare, A Carotti, M Catto, S Cellamare, ... Molecular Informatics 35 (8-9), 294-308, 2016 | 25 | 2016 |
Analysis of solvent-exposed and buried co-crystallized ligands: A case study to support the design of novel protein–protein interaction inhibitors D Trisciuzzi, O Nicolotti, MA Miteva, BO Villoutreix Drug Discovery Today 24 (2), 551-559, 2019 | 22 | 2019 |
Strategies of virtual screening in medicinal chemistry GI Passeri, D Trisciuzzi, D Alberga, L Siragusa, F Leonetti, ... Data Analytics in Medicine: Concepts, Methodologies, Tools, and Applications …, 2020 | 20 | 2020 |
PLATO: A predictive drug discovery web platform for efficient target fishing and bioactivity profiling of small molecules F Ciriaco, N Gambacorta, D Trisciuzzi, O Nicolotti International Journal of Molecular Sciences 23 (9), 5245, 2022 | 18 | 2022 |
TIRESIA: an explainable artificial intelligence platform for predicting developmental toxicity MV Togo, F Mastrolorito, F Ciriaco, D Trisciuzzi, AR Tondo, N Gambacorta, ... Journal of Chemical Information and Modeling 63 (1), 56-66, 2022 | 15 | 2022 |
Bcr-Abl allosteric inhibitors: where we are and where we are going to F Carofiglio, D Trisciuzzi, N Gambacorta, F Leonetti, A Stefanachi, ... Molecules 25 (18), 4210, 2020 | 15 | 2020 |
Human aquaporin-4 and molecular modeling: historical perspective and view to the future GF Mangiatordi, D Alberga, D Trisciuzzi, G Lattanzi, O Nicolotti International Journal of Molecular Sciences 17 (7), 1119, 2016 | 15 | 2016 |
Molecular docking for predictive toxicology D Trisciuzzi, D Alberga, F Leonetti, E Novellino, O Nicolotti, ... Computational toxicology: Methods and protocols, 181-197, 2018 | 13 | 2018 |
An integrated machine learning model to spot peptide binding pockets in 3D protein screening D Trisciuzzi, L Siragusa, M Baroni, G Cruciani, O Nicolotti Journal of Chemical Information and Modeling 62 (24), 6812-6824, 2022 | 10 | 2022 |