Trends and Applications in Computationally Driven Drug Repurposing

por Pinzi, Luca, Rastelli, Giulio
Publicado 2023

Computational polypharmacology comes of age

por Rastelli, Giulio, Pinzi, Luca
Publicado 2015

Refinement and Rescoring of Virtual Screening Results

por Rastelli, Giulio, Pinzi, Luca
Publicado 2019

Molecular Docking: Shifting Paradigms in Drug Discovery

por Pinzi, Luca, Rastelli, Giulio
Publicado 2019

Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models

por Tinivella, Annachiara, Pinzi, Luca, Rastelli, Giulio
Publicado 2021

Chemoinformatics Analyses of Tau Ligands Reveal Key Molecular Requirements for the Identification of Potential Drug Candidates against Tauopathies

por Pinzi, Luca, Tinivella, Annachiara, Rastelli, Giulio
Publicado 2021

Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

por Bonanni, Davide, Pinzi, Luca, Rastelli, Giulio
Publicado 2022

Identification of Promising Drug Candidates against Prostate Cancer through Computationally-Driven Drug Repurposing

por Bernal, Leonardo, Pinzi, Luca, Rastelli, Giulio
Publicado 2023

Molecular Dynamics Simulations and Classical Multidimensional Scaling Unveil New Metastable States in the Conformational Landscape of CDK2

por Pisani, Pasquale, Caporuscio, Fabiana, Carlino, Luca, Rastelli, Giulio
Publicado 2016

Design of Dual Inhibitors of Histone Deacetylase 6 and Heat Shock Protein 90

por Pinzi, Luca, Benedetti, Rosaria, Altucci, Lucia, Rastelli, Giulio
Publicado 2020

Drug Repurposing and Polypharmacology to Fight SARS-CoV-2 Through Inhibition of the Main Protease

por Pinzi, Luca, Tinivella, Annachiara, Caporuscio, Fabiana, Rastelli, Giulio
Publicado 2021

Repositioning Natural Products in Drug Discovery

por Rastelli, Giulio, Pellati, Federica, Pinzi, Luca, Gamberini, Maria Cristina
Publicado 2020

Identification of potential biological targets of oxindole scaffolds via in silico repositioning strategies

por Tinivella, Annachiara, Pinzi, Luca, Gambacorta, Guido, Baxendale, Ian, Rastelli, Giulio
Publicado 2022

In Silico Repositioning of Cannabigerol as a Novel Inhibitor of the Enoyl Acyl Carrier Protein (ACP) Reductase (InhA)

por Pinzi, Luca, Lherbet, Christian, Baltas, Michel, Pellati, Federica, Rastelli, Giulio
Publicado 2019

LigAdvisor: a versatile and user-friendly web-platform for drug design

por Pinzi, Luca, Tinivella, Annachiara, Gagliardelli, Luca, Beneventano, Domenico, Rastelli, Giulio
Publicado 2021

Hydroxamic Acid Derivatives: From Synthetic Strategies to Medicinal Chemistry Applications

por Citarella, Andrea, Moi, Davide, Pinzi, Luca, Bonanni, Davide, Rastelli, Giulio
Publicado 2021

Design and Synthesis of Hsp90 Inhibitors with B‐Raf and PDHK1 Multi‐Target Activity

por Pinzi, Luca, Foschi, Francesca, Christodoulou, Michael S., Passarella, Daniele, Rastelli, Giulio
Publicado 2021

Insights into the Structural Conformations of the Tau Protein in Different Aggregation Status

por Pinzi, Luca, Bisi, Nicolò, Sorbi, Claudia, Franchini, Silvia, Tonali, Nicolò, Rastelli, Giulio
Publicado 2023

Structure-activity exploration of a small-molecule allosteric inhibitor of T790M/L858R double mutant EGFR

por Foschi, Francesca, Tinivella, Annachiara, Crippa, Valentina, Pinzi, Luca, Mologni, Luca, Passarella, Daniele, Rastelli, Giulio
Publicado 2022

On the Integration of In Silico Drug Design Methods for Drug Repurposing

por March-Vila, Eric, Pinzi, Luca, Sturm, Noé, Tinivella, Annachiara, Engkvist, Ola, Chen, Hongming, Rastelli, Giulio
Publicado 2017