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The Journal of Physical Chemistry. B|October 13, 2015
Origin of Helical Screw Sense Selectivity Induced by Chiral Constrained Cα-Tetrasubstituted α-Amino Acids in Aib-based PeptidesIrene Maffucci, Jonathan Clayden, Alessandro ContiniThe Journal of Organic Chemistry|January 4, 2006
Tautomeric equilibria of [1]benzopyrano[3,4-d]imidazol-4(3H)-ones, a theoretical and NMR studyAlessandro Contini, Donatella Nava, Pasqualina TrimarcoCurrent Medicinal Chemistry|May 15, 2018
Advances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy CalculationsXiao Hu, Irene Maffucci, Alessandro ContiniJournal of Molecular Graphics & Modelling|March 19, 2013
Molecular dynamic simulation of mGluR5 amino terminal domain: essential dynamics analysis captures the agonist or antagonist behaviour of ligandsAlessandro Casoni, Francesca Clerici, Alessandro ContiniBioorganic & Medicinal Chemistry Letters|August 10, 2020
Discovery of a d-pro-lys peptidomimetic inhibitor of MMP9: Addressing the gelatinase selectivity beyond S1' subsiteElena Lenci, Alessandro Contini, Andrea TrabocchiOrganic & Biomolecular Chemistry|March 19, 2014
Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimerArne Berthelmann, Johannes Lach, Melissa A Gräwert, et al.The Journal of Physical Chemistry. B|December 23, 2014
Mechanism of stabilization of helix secondary structure by constrained Cα-tetrasubstituted α-amino acidsIrene Maffucci, Sara Pellegrino, Jonathan Clayden, et al.Journal of Chemical Information and Modeling|May 10, 2023
Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent ModelsCrescenzo Coppa, Andrea Bazzoli, Maral Barkhordari, et al.Journal of Peptide Science : an Official Publication of the European Peptide Society|July 23, 2015
Synthetic peptides mimicking the binding site of human acetylcholinesterase for its inhibitor fasciculin 2Uwe Kafurke, Ariel Erijman, Yonatan Aizner, et al.Frontiers in Chemistry|March 21, 2018
An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual ScreeningsIrene Maffucci, Xiao Hu, Valentina Fumagalli, et al.Pageof 13