Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals. - Daniela Trisciuzzi; Domenico Alberga; Kamel Mansouri; Richard S. Judson; Ettore Novellino; Giuseppe Felice Mangiatordi; Orazio Nicolotti (J. Chem. Inf. Model., 2017)

A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL). - Domenico Alberga; Daniela Trisciuzzi; Michele Montaruli; Francesco Leonetti 001; Giuseppe Felice Mangiatordi; Orazio Nicolotti (J. Chem. Inf. Model., 2019)

De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization. - Domenico Alberga; Nicola Gambacorta; Daniela Trisciuzzi; Fulvio Ciriaco; Nicola Amoroso; Orazio Nicolotti (J. Chem. Inf. Model., 2020)

Getting Insights into Structural and Energetic Properties of Reciprocal Peptide-Protein Interactions. - Daniela Trisciuzzi; Lydia Siragusa; Massimo Baroni; Ida Autiero; Orazio Nicolotti; Gabriele Cruciani (J. Chem. Inf. Model., 2022)

An Integrated Machine Learning Model To Spot Peptide Binding Pockets in 3D Protein Screening. - Daniela Trisciuzzi; Lydia Siragusa; Massimo Baroni; Gabriele Cruciani; Orazio Nicolotti (J. Chem. Inf. Model., 2022)

TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity. - Maria Vittoria Togo; Fabrizio Mastrolorito; Fulvio Ciriaco; Daniela Trisciuzzi; Anna Rita Tondo; Nicola Gambacorta; Loredana Bellantuono; Alfonso Monaco; Francesco Leonetti 001; Roberto Bellotti; Cosimo Damiano Altomare; Nicola Amoroso; et al. (J. Chem. Inf. Model., 2023)

MzDOCK: A free ready-to-use GUI-based pipeline for molecular docking simulations. - Muzammil Kabier; Nicola Gambacorta; Daniela Trisciuzzi; Sunil Kumar; Orazio Nicolotti; Bijo Mathew (J. Comput. Chem., 2024)