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Bioorganic & Medicinal Chemistry Letters|September 3, 2003
Structure of Plasmodium vivax dihydrofolate reductase determined by homology modeling and molecular dynamics refinementGiulio Rastelli, Sara Pacchioni, Marco Daniele ParentiJournal of Medicinal Chemistry|January 10, 2019
Evaluation of Amides, Carbamates, Sulfonamides, and Ureas of 4-Prop-2-ynylidenecycloalkylamine as Potent, Selective, and Bioavailable Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5Davide Graziani, Silvia Caligari, Elisa Callegari, et al.Chemmedchem|November 21, 2018
Structure-Activity Relationships of Hexahydrocyclopenta[c]quinoline Derivatives as Allosteric Inhibitors of CDK2 and EGFRLuca Carlino, Michael S Christodoulou, Valentina Restelli, et al.European Journal of Medicinal Chemistry|December 14, 2022
Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptorsAnnachiara Tinivella, Jerome C Nwachukwu, Andrea Angeli, et al.Journal of Chemical Information and Modeling|September 11, 2010
Exploring the binding site of C-terminal hsp90 inhibitorsMiriam Sgobba, Rosetta Forestiero, Gianluca Degliesposti, et al.Plos One|April 22, 2016
Molecular Dynamics Simulations and Classical Multidimensional Scaling Unveil New Metastable States in the Conformational Landscape of CDK2Pasquale Pisani, Fabiana Caporuscio, Luca Carlino, et al.Chemical Biology & Drug Design|October 22, 2009
Activity prediction and structural insights of extracellular signal-regulated kinase 2 inhibitors with molecular dynamics simulationsAlberto Del Rio, Benedetta Frida Baldi, Giulio RastelliArchiv Der Pharmazie|July 9, 2026
Purine and Pyrrolopyrimidine-Based Small Molecules as Multitarget TherapeuticsFederica Borghi, Antonio Laus, Claudia Sorbi, et al.Journal of Computational Chemistry|July 2, 2009
Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSAGiulio Rastelli, Alberto Del Rio, Gianluca Degliesposti, et al.Nature Communications|February 23, 2024
Quantitative live cell imaging of a tauopathy model enables the identification of a polypharmacological drug candidate that restores physiological microtubule interactionLuca Pinzi, Christian Conze, Nicolo Bisi, et al.Pageof 10