Lorenzo Casalino
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Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein
L Casalino, Z Gaieb, JA Goldsmith, CK Hjorth, AC Dommer, AM Harbison, ...
ACS Central Science 6 (10), 1722-1734, 2020
A glycan gate controls opening of the SARS-CoV-2 spike protein
T Sztain, SH Ahn, AT Bogetti, L Casalino, JA Goldsmith, E Seitz, ...
Nature chemistry 13 (10), 963-968, 2021
SARS-CoV-2 escape in vitro from a highly neutralizing COVID-19 convalescent plasma
E Andreano, G Piccini, D Licastro, L Casalino, NV Johnson, I Paciello, ...
BioRxiv, 2020
SARS-CoV-2 escape from a highly neutralizing COVID-19 convalescent plasma
E Andreano, G Piccini, D Licastro, L Casalino, NV Johnson, I Paciello, ...
Proceedings of the National Academy of Sciences 118 (36), e2103154118, 2021
A multiscale coarse-grained model of the SARS-CoV-2 virion
A Yu, AJ Pak, P He, V Monje-Galvan, L Casalino, Z Gaieb, AC Dommer, ...
Biophysical journal 120 (6), 1097-1104, 2021
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
L Casalino, AC Dommer, Z Gaieb, EP Barros, T Sztain, SH Ahn, A Trifan, ...
The International Journal of High Performance Computing Applications 35 (5…, 2021
The flexibility of ACE2 in the context of SARS-CoV-2 infection
EP Barros, L Casalino, Z Gaieb, AC Dommer, Y Wang, L Fallon, ...
Biophysical journal 120 (6), 1072-1084, 2021
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
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
Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
L Casalino, Ł Nierzwicki, M Jinek, G Palermo
ACS catalysis 10 (22), 13596-13605, 2020
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
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
# COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ...
The international journal of high performance computing applications 37 (1…, 2023
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
Spike-heparan sulfate interactions in SARS-CoV-2 infection
FL Kearns, DR Sandoval, L Casalino, TM Clausen, MA Rosenfeld, ...
Current Opinion in Structural Biology 76, 102439, 2022
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
A potential interaction between the SARS-CoV-2 spike protein and nicotinic acetylcholine receptors
ASF Oliveira, AA Ibarra, I Bermudez, L Casalino, Z Gaieb, DK Shoemark, ...
Biophysical journal 120 (6), 983-993, 2021
GlycoGrip: Cell Surface-Inspired Universal Sensor for Betacoronaviruses
SH Kim, FL Kearns, MA Rosenfeld, L Casalino, MJ Papanikolas, ...
ACS central science 8 (1), 22-42, 2021
Decrypting the information exchange pathways across the spliceosome machinery
A Saltalamacchia, L Casalino, J Borisek, VS Batista, I Rivalta, ...
Journal of the American Chemical Society 142 (18), 8403-8411, 2020
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
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