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Daniela Trisciuzzi
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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
3082016
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
1352020
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
792021
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
722018
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
632020
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
452017
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
332019
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
332017
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
312015
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
302019
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
272017
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
252016
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
222019
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
202020
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
152022
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
152020
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
152016
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
132022
Molecular docking for predictive toxicology
D Trisciuzzi, D Alberga, F Leonetti, E Novellino, O Nicolotti, ...
Computational toxicology: Methods and protocols, 181-197, 2018
132018
Comparative molecular dynamics study of neuromyelitis optica-immunoglobulin G binding to aquaporin-4 extracellular domains
D Alberga, D Trisciuzzi, G Lattanzi, JL Bennett, AS Verkman, ...
Biochimica et Biophysica Acta (BBA)-Biomembranes 1859 (8), 1326-1334, 2017
102017
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