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Cell Reports Methods|April 12, 2024
Mutational rescue of the activity of high-fidelity Cas9 enzymesPascal D Vos, Andrianto P Gandadireja, Giulia Rossetti, et al.International Journal of Molecular Sciences|September 9, 2023
Low Molecular Weight Inhibitors Targeting the RNA-Binding Protein HuRBenjamin Philipp Joseph, Verena Weber, Lisa Knüpfer, et al.Journal of Chemical Information and Modeling|June 15, 2023
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM SimulationsBharath Raghavan, Mirko Paulikat, Katya Ahmad, et al.Journal of Chemical Information and Modeling|February 22, 2023
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM SimulationsBharath Raghavan, Florian K Schackert, Andrea Levy, et al.Journal of Chemical Theory and Computation|December 1, 2015
Docking Ligands on Protein Surfaces: The Case Study of Prion ProteinAgata Kranjc, Salvatore Bongarzone, Giulia Rossetti, et al.The FEBS Journal|July 22, 2014
Developing predictive rules for coordination geometry from visible circular dichroism of copper(II) and nickel(II) ions in histidine and amide main-chain complexesHelen F Stanyon, Xiaojing Cong, Yan Chen, et al.The Journal of Physical Chemistry Letters|February 17, 2017
Proton Dynamics in Protein Mass SpectrometryJinyu Li, Wenping Lyu, Giulia Rossetti, et al.International Journal of Molecular Sciences|September 12, 2018
Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain DiagnosticsJuan Zeng, Riccardo Guareschi, Mangesh Damre, et al.European Journal of Medicinal Chemistry|April 24, 2020
In silico/in vitro screening and hit evaluation identified new phenothiazine anti-prion derivativesLudovica Zaccagnini, Giulia Rossetti, Thanh Hoa Tran, et al.Frontiers in Cell and Developmental Biology|May 13, 2022
Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous SolutionLinh Gia Hoang, Jonas Goßen, Riccardo Capelli, et al.Pageof 15