Lorenzo Casalino

Title(s)	Assistant Project Scientist, Molecular Biology
School	Vc-academic Affairs
Address	9500 Gilman Drive # La Jolla CA 92093
ORCID	0000-0003-3581-1148
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Biography

education and training

International School for Advanced Studies, Trieste, Italy	Ph.D.	10/2017	Computational Biophysics
University of Milan, Milan, Italy	M.Sc.	07/2013	Pharmaceutical Chemistry

awards and honors

ACS COMP	2021	Wiley Computers in Chemistry Outstanding Postdoc Award
UC San Diego	2021	Art of Science Contest
Association fo Computing Machinery	2020	Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research
Biophysical Society	2017	Art of Science Image Contest
RNA Society	2017	RNA Society travel grant

Overview

webpage

	LinkedIn
	Posts on X LCasalino88

media links

	The Coronavirus Unveiled (10/09/2020)
	The Coronavirus in a Tiny Drop (12/01/2021)
	A Visual Guide to the SARS-CoV-2 Coronavirus (7/1/2020)
	San Diego Scientists Work on Pan-Coronavirus Vaccine (10/24/2021)
	El Glaseado que Camufla al Coronavirus (01/18/2021)

Featured Videos

Bibliographic

selected publications

Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help. to make corrections and additions.

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PMC Citations indicate the number of times the publication was cited by articles in PubMed Central, and the Altmetric score represents citations in news articles and social media. (Note that publications are often cited in additional ways that are not shown here.) Fields are based on how the National Library of Medicine (NLM) classifies the publication's journal and might not represent the specific topic of the publication. Translation tags are based on the publication type and the MeSH terms NLM assigns to the publication. Some publications (especially newer ones and publications not in PubMed) might not yet be assigned Field or Translation tags.) Click a Field or Translation tag to filter the publications.

Allosteric modulation by the fatty acid site in the glycosylated SARS-CoV-2 spike. Elife. 2025 Apr 10; 13. Oliveira ASF, Kearns FL, Rosenfeld MA, Casalino L, Tulli L, Berger I, Schaffitzel C, Davidson AD, Amaro RE, Mulholland AJ. PMID: 40208235; PMCID: PMC11984958.

View in: PubMed Mentions: Fields:
Bio Biology
Translation:Humans Cells
A Reflection on the Use of Molecular Simulation to Respond to SARS-CoV-2 Pandemic Threats. J Phys Chem Lett. 2025 Apr 03; 16(13):3249-3263. Casalino L, Ramos-Guzmán CA, Amaro RE, Simmerling C, Lodola A, Mulholland AJ, Swiderek K, Moliner V. PMID: 40118074; PMCID: PMC11973918.

View in: PubMed Mentions: Fields:
Che Chemistry
Regulatory Interactions between APOBEC3B N- and C-Terminal Domains. J Chem Inf Model. 2025 Apr 14; 65(7):3593-3604. Braza MKE, Demir Ö, Ahn SH, Morris CK, Calvó-Tusell C, McGuire KL, de la Peña Avalos B, Carpenter MA, Chen Y, Casalino L, Aihara H, Herzik MA, Harris RS, Amaro RE. PMID: 40105360; PMCID: PMC12004528.

View in: PubMed Mentions: Fields:
Che Chemistry Med Medical Informatics
Translation:Humans Cells
Regulatory interactions between APOBEC3B N- and C-terminal domains. bioRxiv. 2024 Dec 12. Braza MKE, Demir Ö, Ahn SH, Morris CK, Calvó-Tusell C, McGuire KL, de la Peña Avalos B, Carpenter MA, Chen Y, Casalino L, Aihara H, Herzik MA, Harris RS, Amaro RE. PMID: 39713448; PMCID: PMC11661193.

View in: PubMed Mentions:
Distinct pathways for evolution of enhanced receptor binding and cell entry in SARS-like bat coronaviruses. PLoS Pathog. 2024 Nov; 20(11):e1012704. Tse AL, Acreman CM, Ricardo-Lax I, Berrigan J, Lasso G, Balogun T, Kearns FL, Casalino L, McClain GL, Chandran AM, Lemeunier C, Amaro RE, Rice CM, Jangra RK, McLellan JS, Chandran K, Miller EH. PMID: 39546542; PMCID: PMC11602109.

View in: PubMed Mentions: 1 Fields:
Mic Microbiology
Translation:Humans Animals Cells
Simulation-driven design of stabilized SARS-CoV-2 spike S2 immunogens. Nat Commun. 2024 Aug 27; 15(1):7370. Nuqui X, Casalino L, Zhou L, Shehata M, Wang A, Tse AL, Ojha AA, Kearns FL, Rosenfeld MA, Miller EH, Acreman CM, Ahn SH, Chandran K, McLellan JS, Amaro RE. PMID: 39191724; PMCID: PMC11350062.

View in: PubMed Mentions: 5 Fields:
Bio Biology Sci Science
Translation:Humans Animals Cells
SARS-CoV-2 evolved variants optimize binding to cellular glycocalyx. Cell Rep Phys Sci. 2023 Apr 19; 4(4):101346. Kim SH, Kearns FL, Rosenfeld MA, Votapka L, Casalino L, Papanikolas M, Amaro RE, Freeman R. PMID: 37077408; PMCID: PMC10080732.

View in: PubMed Mentions: 19
Breathing and Tilting: Mesoscale Simulations Illuminate Influenza Glycoprotein Vulnerabilities. ACS Cent Sci. 2022 Dec 28; 8(12):1646-1663. Casalino L, Seitz C, Lederhofer J, Tsybovsky Y, Wilson IA, Kanekiyo M, Amaro RE. PMID: 36589893; PMCID: PMC9801513.

View in: PubMed Mentions: 23
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol. Int J High Perform Comput Appl. 2023 Jan; 37(1):28-44. Dommer A, Casalino L, Kearns F, Rosenfeld M, Wauer N, Ahn SH, Russo J, Oliveira S, Morris C, Bogetti A, Trifan A, Brace A, Sztain T, Clyde A, Ma H, Chennubhotla C, Lee H, Turilli M, Khalid S, Tamayo-Mendoza T, Welborn M, Christensen A, Smith DG, Qiao Z, Sirumalla SK, O'Connor M, Manby F, Anandkumar A, Hardy D, Phillips J, Stern A, Romero J, Clark D, Dorrell M, Maiden T, Huang L, McCalpin J, Woods C, Gray A, Williams M, Barker B, Rajapaksha H, Pitts R, Gibbs T, Stone J, Zuckerman DM, Mulholland AJ, Miller T, Jha S, Ramanathan A, Chong L, Amaro RE. PMID: 36647365; PMCID: PMC9527558.

View in: PubMed Mentions: 22
Targeted protein S-nitrosylation of ACE2 inhibits SARS-CoV-2 infection. Nat Chem Biol. 2023 03; 19(3):275-283. Oh CK, Nakamura T, Beutler N, Zhang X, Piña-Crespo J, Talantova M, Ghatak S, Trudler D, Carnevale LN, McKercher SR, Bakowski MA, Diedrich JK, Roberts AJ, Woods AK, Chi V, Gupta AK, Rosenfeld MA, Kearns FL, Casalino L, Shaabani N, Liu H, Wilson IA, Amaro RE, Burton DR, Yates JR, Becker C, Rogers TF, Chatterjee AK, Lipton SA. PMID: 36175661; PMCID: PMC10127945.

View in: PubMed Mentions: 13 Fields:
Bio Biology Che Chemistry
Translation:Humans Cells
Spike-heparan sulfate interactions in SARS-CoV-2 infection. Curr Opin Struct Biol. 2022 10; 76:102439. Kearns FL, Sandoval DR, Casalino L, Clausen TM, Rosenfeld MA, Spliid CB, Amaro RE, Esko JD. PMID: 35926454; PMCID: PMC9257145.

View in: PubMed Mentions: 41 Fields:
Bio Biochemistry Mol Molecular Biology
Translation:Humans Cells
GlycoGrip: Cell Surface-Inspired Universal Sensor for Betacoronaviruses. ACS Cent Sci. 2022 Jan 26; 8(1):22-42. Kim SH, Kearns FL, Rosenfeld MA, Casalino L, Papanikolas MJ, Simmerling C, Amaro RE, Freeman R. PMID: 35106370; PMCID: PMC8796303.

View in: PubMed Mentions: 19
SARS-CoV-2 escape from a highly neutralizing COVID-19 convalescent plasma. Proc Natl Acad Sci U S A. 2021 09 07; 118(36). Andreano E, Piccini G, Licastro D, Casalino L, Johnson NV, Paciello I, Dal Monego S, Pantano E, Manganaro N, Manenti A, Manna R, Casa E, Hyseni I, Benincasa L, Montomoli E, Amaro RE, McLellan JS, Rappuoli R. PMID: 34417349; PMCID: PMC8433494.

View in: PubMed Mentions: 263 Fields:
Sci Science
Translation:Humans Animals Cells
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics. Int J High Perform Comput Appl. 2021 Sep; 35(5):432-451. Casalino L, Dommer AC, Gaieb Z, Barros EP, Sztain T, Ahn SH, Trifan A, Brace A, Bogetti AT, Clyde A, Ma H, Lee H, Turilli M, Khalid S, Chong LT, Simmerling C, Hardy DJ, Maia JD, Phillips JC, Kurth T, Stern AC, Huang L, McCalpin JD, Tatineni M, Gibbs T, Stone JE, Jha S, Ramanathan A, Amaro RE. PMID: 38603008; PMCID: PMC8064023.

View in: PubMed Mentions: 53
A glycan gate controls opening of the SARS-CoV-2 spike protein. Nat Chem. 2021 10; 13(10):963-968. Sztain T, Ahn SH, Bogetti AT, Casalino L, Goldsmith JA, Seitz E, McCool RS, Kearns FL, Acosta-Reyes F, Maji S, Mashayekhi G, McCammon JA, Ourmazd A, Frank J, McLellan JS, Chong LT, Amaro RE. PMID: 34413500; PMCID: PMC8488004.

View in: PubMed Mentions: 166 Fields:
Che Chemistry
Translation:Humans Cells
Decoding allosteric regulation by the acyl carrier protein. Proc Natl Acad Sci U S A. 2021 04 20; 118(16). Sztain T, Bartholow TG, Lee DJ, Casalino L, Mitchell A, Young MA, Wang J, McCammon JA, Burkart MD. PMID: 33846262; PMCID: PMC8072227.

View in: PubMed Mentions: 11 Fields:
Sci Science
Translation:Cells
A potential interaction between the SARS-CoV-2 spike protein and nicotinic acetylcholine receptors. Biophys J. 2021 03 16; 120(6):983-993. Oliveira ASF, Ibarra AA, Bermudez I, Casalino L, Gaieb Z, Shoemark DK, Gallagher T, Sessions RB, Amaro RE, Mulholland AJ. PMID: 33609494; PMCID: PMC7889469.

View in: PubMed Mentions: 25 Fields:
Bio Biophysics
Atomic-Level Mechanism of Pre-mRNA Splicing in Health and Disease. Acc Chem Res. 2021 01 05; 54(1):144-154. Borišek J, Casalino L, Saltalamacchia A, Mays SG, Malcovati L, Magistrato A. PMID: 33317262.

View in: PubMed Mentions: 10 Fields:
Che Chemistry
Translation:Humans Animals Cells
A multiscale coarse-grained model of the SARS-CoV-2 virion. Biophys J. 2021 03 16; 120(6):1097-1104. Yu A, Pak AJ, He P, Monje-Galvan V, Casalino L, Gaieb Z, Dommer AC, Amaro RE, Voth GA. PMID: 33253634; PMCID: PMC7695975.

View in: PubMed Mentions: 53 Fields:
Bio Biophysics
Translation:Cells
The flexibility of ACE2 in the context of SARS-CoV-2 infection. Biophys J. 2021 03 16; 120(6):1072-1084. Barros EP, Casalino L, Gaieb Z, Dommer AC, Wang Y, Fallon L, Raguette L, Belfon K, Simmerling C, Amaro RE. PMID: 33189680; PMCID: PMC7661960.

View in: PubMed Mentions: 55 Fields:
Bio Biophysics
Translation:Humans Cells
Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics. ACS Catal. 2020 Nov 20; 10(22):13596-13605. Casalino L, Nierzwicki L, Jinek M, Palermo G. PMID: 33520346; PMCID: PMC7842700.

View in: PubMed Mentions: 36
Multiscale Simulations Examining Glycan Shield Effects on Drug Binding to Influenza Neuraminidase. Biophys J. 2020 12 01; 119(11):2275-2289. Seitz C, Casalino L, Konecny R, Huber G, Amaro RE, McCammon JA. PMID: 33130120; PMCID: PMC7732775.

View in: PubMed Mentions: 8 Fields:
Bio Biophysics
Translation:Cells
Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein. ACS Cent Sci. 2020 Oct 28; 6(10):1722-1734. Casalino L, Gaieb Z, Goldsmith JA, Hjorth CK, Dommer AC, Harbison AM, Fogarty CA, Barros EP, Taylor BC, McLellan JS, Fadda E, Amaro RE. PMID: 33140034; PMCID: PMC7523240.

View in: PubMed Mentions: 431
Decrypting the Information Exchange Pathways across the Spliceosome Machinery. J Am Chem Soc. 2020 05 06; 142(18):8403-8411. Saltalamacchia A, Casalino L, Borišek J, Batista VS, Rivalta I, Magistrato A. PMID: 32275149; PMCID: PMC7339022.

View in: PubMed Mentions: 13 Fields:
Che Chemistry
Translation:Animals Cells
Vincent van Gogh’s Autocatalysis. In: Matthäus, F., Matthäus, S., Harris, S., Hillen, T. (eds) The Art of Theoretical Biology. 2020. Palermo A, Casalino L, Palermo G . View Publication.
Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism. ACS Cent Sci. 2020 Feb 26; 6(2):189-196. Durrant JD, Kochanek SE, Casalino L, Ieong PU, Dommer AC, Amaro RE. PMID: 32123736; PMCID: PMC7048371.

View in: PubMed Mentions: 42
Unraveling the Molecular Mechanism of Pre-mRNA Splicing From Multi-Scale Simulations. Front Mol Biosci. 2019; 6:62. Casalino L, Magistrato A. PMID: 31448284; PMCID: PMC6691188.

View in: PubMed Mentions: 2
Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery? Future Med Chem. 2019 04; 11(7):771-791. Sgrignani J, Casalino L, Doro F, Spinello A, Magistrato A. PMID: 30938544.

View in: PubMed Mentions: 3 Fields:
Che Chemistry Pha Pharmacy
Translation:Cells
Human Influenza A Virus Hemagglutinin Glycan Evolution Follows a Temporal Pattern to a Glycan Limit. mBio. 2019 04 02; 10(2). Altman MO, Angel M, Košík I, Trovão NS, Zost SJ, Gibbs JS, Casalino L, Amaro RE, Hensley SE, Nelson MI, Yewdell JW. PMID: 30940704; PMCID: PMC6445938.

View in: PubMed Mentions: 59 Fields:
Mic Microbiology
Translation:Humans Cells
Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations. J Struct Biol. 2019 06 01; 206(3):267-279. Palermo G, Casalino L, Magistrato A, Andrew McCammon J. PMID: 30880083; PMCID: PMC6637970.

View in: PubMed Mentions: 21 Fields:
Cel Cell Biology Mol Molecular Biology
Translation:Humans Cells
A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme? Chemistry. 2018 Jul 25; 24(42):10840-10849. Spinello A, Pavlin M, Casalino L, Magistrato A. PMID: 29770981.

View in: PubMed Mentions: 16 Fields:
Che Chemistry
Translation:Humans Cells
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome. Proc Natl Acad Sci U S A. 2018 06 26; 115(26):6584-6589. Casalino L, Palermo G, Spinello A, Rothlisberger U, Magistrato A. PMID: 29891649; PMCID: PMC6042132.

View in: PubMed Mentions: 32 Fields:
Sci Science
Translation:Animals Cells
Development of Site-Specific Mg(2+)-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations. J Chem Theory Comput. 2017 01 10; 13(1):340-352. Casalino L, Palermo G, Abdurakhmonova N, Rothlisberger U, Magistrato A. PMID: 28001405.

View in: PubMed Mentions: 23 Fields:
Bio Biochemistry Che Chemistry
Translation:Cells
Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns. J Am Chem Soc. 2016 08 24; 138(33):10374-7. Casalino L, Palermo G, Rothlisberger U, Magistrato A. PMID: 27309711.

View in: PubMed Mentions: 26 Fields:
Che Chemistry
Translation:Cells
Structural, dynamical and catalytic interplay between Mg2+ ions and RNA. Vices and virtues of atomistic simulations. Inorganica Chimica Acta. 2016; 452:73–81. Casalino L, Magistrato A. View Publication.