Lorenzo Casalino
Titolo
Citata da
Citata da
Anno
Who activates the nucleophile in ribozyme catalysis? An answer from the splicing mechanism of group II introns
L Casalino, G Palermo, U Rothlisberger, A Magistrato
Journal of the American Chemical Society 138 (33), 10374-10377, 2016
422016
Development of Site-specific Mg2+-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations
L Casalino, G Palermo, N Abdurakhmonova, U Rothlisberger, ...
Journal of Chemical Theory and Computation 13 (1), 340-352, 2017
292017
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome
L Casalino, G Palermo, A Spinello, U Rothlisberger, A Magistrato
Proceedings of the National Academy of Sciences 115 (26), 6584-6589, 2018
272018
Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism
JD Durrant*, SE Kochanek*, L Casalino*, PU Ieong, AC Dommer, ...
ACS Central Science 6 (2), 189-196, 2020
132020
A dehydrogenase dual hydrogen abstraction mechanism promotes estrogen biosynthesis: can we expand the functional annotation of the aromatase enzyme?
A Spinello, M Pavlin, L Casalino, A Magistrato
Chemistry–A European Journal 24 (42), 10840-10849, 2018
122018
Structural, dynamical and catalytic interplay between Mg 2+ ions and RNA. Vices and virtues of atomistic simulations
L Casalino, A Magistrato
Inorganica Chimica Acta 452, 73-81, 2016
122016
Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations
G Palermo, L Casalino, A Magistrato, JA McCammon
Journal of Structural Biology 206 (3), 267-279, 2019
102019
Human influenza A virus hemagglutinin glycan evolution follows a temporal pattern to a glycan limit
MO Altman, M Angel, I Košk, NS Trovo, SJ Zost, JS Gibbs, L Casalino, ...
MBio 10 (2), 2019
92019
Shielding and Beyond: The Roles of Glycans in SARS-CoV-2 Spike Protein
L Casalino, Z Gaieb, AC Dommer, AM Harbison, CA Fogarty, EP Barros, ...
bioRxiv, 2020
62020
Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery?
J Sgrignani, L Casalino, F Doro, A Spinello, A Magistrato
Future medicinal chemistry 11 (7), 771-791, 2019
52019
Unraveling the molecular mechanism of pre-mRNA splicing from multi-scale simulations
L Casalino, A Magistrato
Frontiers in Molecular Biosciences 6, 62, 2019
22019
Pre-mRNA splicing: an evolutionary computational journey from ribozymes to spliceosome
L Casalino
SISSA, 2017
12017
Decrypting the information exchange pathways across the spliceosome machinery
A Saltalamacchia, L Casalino, J Borišek, VS Batista, I Rivalta, ...
Journal of the American Chemical Society 142 (18), 8403-8411, 2020
2020
Simulations support the interaction of the SARS-CoV-2 spike protein with nicotinic acetylcholine receptors and suggest subtype specificity
ASF Oliveira, AA Ibarra, I Bermudez, L Casalino, Z Gaieb, DK Shoemark, ...
bioRxiv, 2020
2020
Vincent van Gogh’s Autocatalysis
A Palermo, L Casalino, G Palermo
The Art of Theoretical Biology, 114-115, 2020
2020
Two-metal ion mechanism of DNA cleavage in CRISPR-Cas9
L Casalino, M Jinek, G Palermo
ChemRxiv, 2019
2019
Influenza virus glycosylation: Impact on virulence and transmissibility revealed by all-atom mesoscale simulations
L Casalino, C Seitz, M Altman, I Wilson, R Amaro
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
How does glycosylation affect small molecule binding on influenza? Roles of electrostatics and sterics examined through Brownian dynamics simulations
C Seitz, L Casalino, G Huber, JA McCammon, R Amaro
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
Pre-mRNA Splicing: The Gene Maturation Symphony of the Intron Lariat Spliceosome Revealed by Molecular Dynamics Simulations
L Casalino, G Palermo, A Spinello, U Roethlisberger, A Magistrato
Biophysical Journal 116 (3), 299a, 2019
2019
Influenza Virulence and Transmissibility through the Computational Microscope
L Casalino, C Seitz, IA Wilson, RE Amaro
Biophysical Journal 116 (3), 342a, 2019
2019
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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