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International Journal of Molecular Sciences|December 23, 2018
Structural Determinants of the Prion Protein N-Terminus and Its Adducts with Copper IonsCarolina Sánchez-López, Giulia Rossetti, Liliana Quintanar, et al.Proteins|January 18, 2021
Robust principal component analysis-based prediction of protein-protein interaction hot spotsDivya Sitani, Alejandro Giorgetti, Mercedes Alfonso-Prieto, et al.Frontiers in Pharmacology|March 20, 2023
Molecular determinants of acrylamide neurotoxicity through covalent dockingNicolas Pierre Friedrich Mueller, Paolo Carloni, Mercedes Alfonso-PrietoThe Journal of Physical Chemistry. B|December 1, 2006
Anthramycin-DNA binding explored by molecular simulationsAttilio V Vargiu, Paolo Ruggerone, Alessandra Magistrato, et al.Molecules (Basel, Switzerland)|July 2, 2021
Role and Perspective of Molecular Simulation-Based Investigation of RNA-Ligand Interaction: From Small Molecules and Peptides to Photoswitchable RNA BindingDaria V Berdnikova, Paolo Carloni, Sybille Krauß, et al.Nucleic Acids Research|September 20, 2008
Dissociation of minor groove binders from DNA: insights from metadynamics simulationsAttilio Vittorio Vargiu, Paolo Ruggerone, Alessandra Magistrato, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|July 20, 2007
Computational study of the phosphoryl transfer catalyzed by a cyclin-dependent kinaseMarco De Vivo, Andrea Cavalli, Paolo Carloni, et al.Journal of Chemical Theory and Computation|November 21, 2015
RNA/Peptide Binding Driven by Electrostatics-Insight from Bidirectional Pulling SimulationsTrang N Do, Paolo Carloni, Gabriele Varani, et al.Biophysical Journal|December 28, 2007
Sliding of alkylating anticancer drugs along the minor groove of DNA: new insights on sequence selectivityAttilio V Vargiu, Paolo Ruggerone, Alessandra Magistrato, et al.The Journal of Physical Chemistry. B|February 24, 2006
Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: insights from hybrid QM/MM molecular dynamics simulationsAlessandra Magistrato, Paolo Ruggerone, Katrin Spiegel, et al.Pageof 846