Casalino, Lorenzo
Casalino, Lorenzo
Scuola Internazionale Superiore di Studi Avanzati
A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme?
2018-01-01 Spinello, A.; Pavlin, M.; Casalino, L.; Magistrato, A.
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome
2018-01-01 Casalino, L.; Palermo, G.; Spinello, A.; Rothlisberger, U.; Magistrato, A.
Atomic-Level Mechanism of Pre-mRNA Splicing in Health and Disease
2021-01-01 0borisek, J.; Casalino, L.; Saltalamacchia, A.; Mays, S. G.; Malcovati, L.; Magistrato, A.
Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein
2020-01-01 Casalino, Lorenzo; Gaieb, Zied; Goldsmith, Jory A.; Hjorth, Christy K.; Dommer, Abigail C.; Harbison, Aoife M.; Fogarty, Carl A.; Barros, Emilia P.; Taylor, Bryn C.; Mclellan, Jason S.; Fadda, Elisa; Amaro, Rommie E.
Breathing and Tilting: Mesoscale Simulations Illuminate Influenza Glycoprotein Vulnerabilities
2022-01-01 Casalino, Lorenzo; Seitz, Christian; Lederhofer, Julia; Tsybovsky, Yaroslav; Wilson, Ian A.; Kanekiyo, Masaru; Amaro, Rommie E.
Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery?
2019-01-01 Sgrignani, J.; Casalino, L.; Doro, F.; Spinello, A.; Magistrato, A.
Decrypting the information exchange pathways across the spliceosome machinery
2020-01-01 Saltalamacchia, Andrea; Casalino, Lorenzo; Borišek, Jure; S Batista, Victor; Rivalta, Ivan; Magistrato, Alessandra
Development of Site-Specific Mg2+–RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations
2017-01-01 Casalino, Lorenzo; Palermo, Giulia; Abdurakhmonova, Nodira; Rothlisberger, Ursula; Magistrato, Alessandra
Pre-mRNA Splicing: An Evolutionary Computational Journey from Ribozymes to Spliceosome
2017-10-18 Casalino, Lorenzo
Simulation-driven design of stabilized SARS-CoV-2 spike S2 immunogens
2024-01-01 Nuqui, Xandra; Casalino, Lorenzo; Zhou, Ling; Shehata, Mohamed; Wang, Albert; Tse, Alexandra L.; Ojha, Anupam A.; Kearns, Fiona L.; Rosenfeld, Mia A.; Miller, Emily Happy; Acreman, Cory M.; Ahn, Surl-Hee; Chandran, Kartik; Mclellan, Jason S.; Amaro, Rommie E.
Structural, dynamical and catalytic interplay between Mg2+ ions and RNA. Vices and virtues of atomistic simulations
2016-01-01 Casalino, L.; Magistrato, A.
Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations
2019-01-01 Palermo, G.; Casalino, L.; Magistrato, A.; Mccammon, J. A.
Unraveling the molecular mechanism of Pre-mRNA splicing from Multi-Scale simulations
2019-01-01 Casalino, L.; Magistrato, A.
Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns
2016-01-01 Casalino, L.; Palermo, G.; Rothlisberger, U.; Magistrato, A.