| 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 | 911 | 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 | 332 | 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 | 281 | 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 | 222 | 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 | 177 | 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 | 171 | 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 | 125 | 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 | 106 | 2020 |
| 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 | 83 | 2020 |
| # 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 | 80 | 2023 |
| 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 | 80 | 2016 |
| Human influenza A virus hemagglutinin glycan evolution follows a temporal pattern to a glycan limit MO Altman, M Angel, I Košík, NS Trovão, SJ Zost, JS Gibbs, L Casalino, ... MBio 10 (2), 2019 | 79 | 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 | 73 | 2018 |
| 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 | 66 | 2022 |
| 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 | 65 | 2017 |
| 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 | 51 | 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 | 48 | 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 | 43 | 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 | 42 | 2020 |
| Breathing and tilting: mesoscale simulations illuminate influenza glycoprotein vulnerabilities L Casalino, C Seitz, J Lederhofer, Y Tsybovsky, IA Wilson, M Kanekiyo, ... ACS Central Science 8 (12), 1646-1663, 2022 | 40 | 2022 |
Rommie E. AmaroDistinguished Professorship in Theoretical and Computational Chemistry, UC San Diego.Email verificata su ucsd.edu
