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Journal of Chemical Theory and Computation|March 19, 2026
ReVesicle: Curation and Equilibration of Lipid Vesicles for Mesoscale SimulationsMatteo Castelli, Lorenzo Casalino, Rommie E AmaroJournal of the American Chemical Society|June 17, 2016
Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II IntronsLorenzo Casalino, Giulia Palermo, Ursula Rothlisberger, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 18, 2018
A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme?Angelo Spinello, Matic Pavlin, Lorenzo Casalino, et al.ACS Catalysis|February 1, 2021
Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular DynamicsLorenzo Casalino, Łukasz Nierzwicki, Martin Jinek, et al.Journal of Structural Biology|March 19, 2019
Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulationsGiulia Palermo, Lorenzo Casalino, Alessandra Magistrato, et al.Proceedings of the National Academy of Sciences of the United States of America|June 13, 2018
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosomeLorenzo Casalino, Giulia Palermo, Angelo Spinello, et al.Journal of Chemical Theory and Computation|December 22, 2016
Development of Site-Specific Mg(2+)-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics SimulationsLorenzo Casalino, Giulia Palermo, Nodira Abdurakhmonova, et al.Future Medicinal Chemistry|April 3, 2019
Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery?Jacopo Sgrignani, Lorenzo Casalino, Fabio Doro, et al.Journal of the American Chemical Society|April 11, 2020
Decrypting the Information Exchange Pathways across the Spliceosome MachineryAndrea Saltalamacchia, Lorenzo Casalino, Jure Borišek, et al.Accounts of Chemical Research|December 15, 2020
Atomic-Level Mechanism of Pre-mRNA Splicing in Health and DiseaseJure Borišek, Lorenzo Casalino, Andrea Saltalamacchia, et al.Pageof 5