TINIVELLA, ANNACHIARA
TINIVELLA, ANNACHIARA
Dipartimento di Scienze Biomediche, Metaboliche e Neuroscienze
Chemoinformatics Analyses of Tau Ligands Reveal Key Molecular Requirements for the Identification of Potential Drug Candidates against Tauopathies
2021 Pinzi, Luca; Tinivella, Annachiara; Rastelli, Giulio
Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors
2023 Tinivella, Annachiara; Nwachukwu, J. C.; Angeli, A.; Foschi, F.; Benatti, Annalaura; Pinzi, Luca; Izard, T.; Ferraroni, M.; Erumbi, R.; Christodoulou, M. S.; Passarella, D.; Supuran, C.; Nettles, K. W.; Rastelli, Giulio
Development and application of LigAdvisor, a user-friendly web-platform for polypharmacology and drug repurposing
2021 Pinzi, Luca; Tinivella, Annachiara; Rastelli, Giulio
Discovery of a Potent Dual Inhibitor of Aromatase and Aldosterone Synthase
2023 Tinivella, A.; Banchi, M.; Gambacorta, G.; Borghi, F.; Orlandi, P.; Baxendale, I. R.; Di Paolo, A.; Bocci, G.; Pinzi, L.; Rastelli, G.
Drug Repurposing and Polypharmacology to Fight SARS-CoV-2 Through Inhibition of the Main Protease
2021 Pinzi, Luca; Tinivella, Annachiara; Caporuscio, Fabiana; Rastelli, Giulio
Exploration and Comparison of the Geometrical and Physicochemical Properties of an αc Allosteric Pocket in the Structural Kinome
2018 Sturm, Noe Joseph; Tinivella, Annachiara; Rastelli, Giulio
Identification of potential biological targets of oxindole scaffolds via in silico repositioning strategies
2022 Tinivella, Annachiara; Pinzi, Luca; Gambacorta, Guido; Baxendale, Ian; Rastelli, Giulio
Identification of small-molecule EGFR allosteric inhibitors by high-Throughput docking
2018 Caporuscio, Fabiana; Tinivella, Annachiara; Restelli, Valentina; Semrau, Marta S; Pinzi, Luca; Storici, Paola; Broggini, Massimo; Rastelli, Giulio
Investigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy Calculations
2018 Tinivella, Annachiara; Rastelli, Giulio
LigAdvisor: A versatile and user-friendly web-platform for drug design
2021 Pinzi, L.; Tinivella, A.; Gagliardelli, L.; Beneventano, D.; Rastelli, G.
LigAdvisor: a web platform designed for charting novel polypharmacology and drug repurposing routes from crystallographic ligands and known drugs
2021 Pinzi, Luca; Tinivella, Annachiara; Rastelli, Giulio
LigAdvisor: a web server to perform in silico explorations on crystallographic ligands and known drugs for polypharmacology and drug repurposing.
2021 Pinzi, Luca; Tinivella, Annachiara; Rastelli, Giulio
On the integration of in silico drug design methods for drug repurposing
2017 MARCH VILA, Eric; Pinzi, Luca; Sturm, Noã; Tinivella, Annachiara; Engkvist, Ola; Chen, Hongming; Rastelli, Giulio
Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models
2021 Tinivella, Annachiara; Pinzi, Luca; Rastelli, Giulio
Promiscuity of inhibitors of human protein kinases at varying data confidence levels and test frequencies
2017 Stumpfe, Dagmar; Tinivella, Annachiara; Rastelli, Giulio; Bajorath, Jürgen
Structure-activity exploration of a small-molecule allosteric inhibitor of T790M/L858R double mutant EGFR
2023 Foschi, FRANCESCA MADDALENA; Tinivella, Annachiara; Crippa, Valeria; Pinzi, Luca; Mologni, Luca; Passarella, Daniele; Rastelli, Giulio
Structure–Activity Relationships of Hexahydrocyclopenta[c]quinoline Derivatives as Allosteric Inhibitors of CDK2 and EGFR
2018 Carlino, Luca; Christodoulou, Michael S.; Restelli, Valentina; Caporuscio, Fabiana; Foschi, FRANCESCA MADDALENA; Semrau, MARTA STEFANIA; Costanzi, Elisa; Tinivella, Annachiara; Pinzi, Luca; Lo Presti, Leonardo; Battistutta, Roberto; Storici, Paola; Broggini, Massimo; Passarella, Daniele; Rastelli, Giulio
Tackling polypharmacology and drug repurposing with the LigAdvisor webserver.
2021 Pinzi, Luca; Tinivella, Annachiara; Rastelli, Giulio
Tecnologie data-driven per il riposizionamento del farmaco: applicazione di protocolli mirati e metodi innovativi
2022 Tinivella, Annachiara