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Molecular Informatics|September 8, 2022
Extensive Molecular Dynamics Simulations Disclosed the Stability of mPGES-1 Enzyme and the Structural Role of Glutathione (GSH) CofactorSimone Di Micco, Gianluigi Lauro, Giuseppe Bifulco
Journal of Natural Products|May 6, 2011
Inverse virtual screening of antitumor targets: pilot study on a small database of natural bioactive compoundsGianluigi Lauro, Adriana Romano, Raffaele Riccio, et al.
Molecules (Basel, Switzerland)|December 10, 2021
Insights into the Ligand Binding to Bromodomain-Containing Protein 9 (BRD9): A Guide to the Selection of Potential Binders by Computational MethodsSimona De Vita, Maria Giovanna Chini, Giuseppe Bifulco, et al.
Bioorganic & Medicinal Chemistry|April 28, 2012
Inverse Virtual Screening allows the discovery of the biological activity of natural compoundsGianluigi Lauro, Milena Masullo, Sonia Piacente, et al.
Bioorganic & Medicinal Chemistry Letters|February 5, 2023
Target identification by structure-based computational approaches: Recent advances and perspectivesSimona De Vita, Maria Giovanna Chini, Giuseppe Bifulco, et al.
Frontiers in Plant Science|March 3, 2022
<i>Corylus avellana</i>: A Source of Diarylheptanoids With α-Glucosidase Inhibitory Activity Evaluated by <i>in vitro</i> and <i>in silico</i> StudiesMilena Masullo, Gianluigi Lauro, Antonietta Cerulli, et al.
RSC Advances|May 6, 2022
Accelerating the repurposing of FDA-approved drugs against coronavirus disease-19 (COVID-19)Simona De Vita, Maria Giovanna Chini, Gianluigi Lauro, et al.
The Journal of Organic Chemistry|January 22, 2020
DFT/NMR Approach for the Configuration Assignment of Groups of Stereoisomers by the Combination and Comparison of Experimental and Predicted Sets of DataGianluigi Lauro, Pronay Das, Raffaele Riccio, et al.
Expert Opinion on Therapeutic Patents|December 18, 2025
The future of BRD9 inhibitors: a patent perspective (2019-present)Eleonora Boccia, Stefania Terracciano, Maria Giovanna Chini, et al.
Marine Drugs|November 26, 2025
Marine Natural Products in Preclinical Cancer Studies: Ten Years of Advanced Total SynthesisEster Colarusso, Assunta Giordano, Maria Giovanna Chini, et al.
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