Carla Calvo-Tusell

About

Carla Calvó-Tusell earned a PhD in Chemistry from the University of Girona, Spain. During the PhD, Carla explored enzyme function and allostery by means of computational strategies taylored to harness the design of enzyme variants with specific functions.

As part of the Schmidt AI in Science postdoctoral scholars at UC San Diego, Carla works on computational modeling of biochemical processes, with a special focus on studying respiratory viruses in aerosols through the lens of a computational microscope.

The objective of the current research is to use all-atom molecular dynamics simulations and artificial intelligence to understand the activity of new virus variants based on their dynamical behavior in the aerosol environment. Carla's interests also include working toward a more inclusive environment in science.

Experience

Education

PhD in Chemistry

Graduation Year: 2023

University of GironaGirona, Spain

“Computational strategies for understanding the molecular basis of biochemical and biocatalytic processes”. http://hdl.handle.net/10803/688912

Master in Advanced Catalysis and Molecular Modelling

Graduation Year: 2018

University of GironaGirona, Spain

BSc in Biotechnology

Graduation Year: 2017

University of GironaGirona, Spain

Current Position

Postdoctoral research scholar

Schmidt AI in Science Postdoctoral Fellowship

University of California, San Diego
Current

Publications

Selected publications

  • Calvó-Tusell, C.; Maria-Solano, M. A.; Osuna, S.; Feixas, F.; “Time Evolution of the Millisecond Allosteric Activation of Imidazole Glycerol Phosphate Synthase” J. Am. Chem. Soc. 2022, 144, 7146-7159
  • Liu, Z.; Calvó-Tusell, C.; Zhou, A. Z.; Chen, K.; Garcia-Borràs, M.; Arnold, F. H.; "Dual- Function Enzyme Catalysis for Enantioselective Carbon–Nitrogen Bond Formation" Nat. Chem., 2021, 13,12, 1166-1172.
  • Calvó-Tusell, C.‡; Liu, Z‡; Chen, K.; Arnold, F. H.; Garcia-Borràs, M.; "Reversing the enantioselectiviy of enzymatic carbene N-H insertion through mechanism-guided protein engineering" Angew. Chem., 2023, 62, 35, e202303879

    (‡Equally contributed authors)

  • Calzadiaz-Ramírez, L‡; Calvó-Tusell, C.‡, Stoffel, G.‡; Lindner, S. N.; Osuna, S.; Erb, T. J.; Garcia-Borràs, M.; Bar-Even, A., Acevedo-Rocha, C. G.; "In vivo selection for formate dehydrogenases with high efficiency and specificity towards NADP+" ACS Catal., 2020, 10, 14, 7512–7525.

    (‡Equally contributed authors)

Full list of publications

  1. Kearns, F. L.; Bogetti, A. T.‡; Calvó-Tusell, C.‡; Braza, M. K.‡; Rosenfeld, M. A.; Gramm, A. J.; Braet, S.; Casalino, L.; Anand, G.; Ahn, S-H.; Chong, L. T.; Amaro, R. E.; "D614G reshapes allosteric networks and opening mechanisms of SARS-CoV-2 spikes" (preprint), bioRxiv, 2025

    (‡Equally contributed authors)

  2. Gramm, A.; Braet, S.; Srinivasu, B.; Venkatakrishnan, V.; Bass, E.; Kearns, F.; Calvó-Tusell, C.; Amaro, R. E.; Stahelin, R.; Wales, T.; Anand, G.; "SARS CoV-2 spike adopts distinct conformational ensembles in situ" (preprint) , bioRxiv, 2025

  3. Braza M. K. E.; Demir, Ö.; Ahn, S.-H.; Morris, C. K.; Calvó-Tusell, C.; McGuire, K. L.; de la Peña Avalos, B.; Carpenter, M. A.; Chen, Y.; Casalino, L.; Aihara, H.; Herzik, M. A. Jr.; Harris, R. S.; Amaro, R. E.; "Regulatory interactions between APOBEC3B N-and C-terminal domains" (preprint) bioRxiv, 2024

  4. Zeng,Q.; Zhou, Q.; Calvó-Tusell, C.; Dai, S.; Zhao, X.; Garcia-Borràs, M.; Liu, Z.; "Biocatalytic desymmetrization for synthesis of chiral enones using flavoenzymes" Nat. Synth., 2024, 3, 1340-1348

  5. Calvó-Tusell, C.‡; Liu, Z‡; Chen, K.; Arnold, F. H.; Garcia-Borràs, M.; "Reversing the enantioselectiviy of enzymatic carbene N-H insertion through mechanism-guided protein engineering" Angew. Chem., 2023, 62, 35, e202303879

    (‡Equally contributed authors)

  6. Codony, S.; Entrena, J.M.; Calvó-Tusell, C.; Jora, B.; González-Cano, G.; Osuna, S.; Corpas, R.; Morisseau, C.; Pérez, B.; Barniol-Xicota, M.; Griñán-Ferré, C.; Pérez, C.; Rodríguez-Franco, M.I.; Martínez, A.L; Loza, M.I.;Pallàs, M.; Verhelst, S.H.L.; Sanfeliu, C.; Feixas, F.; Hammock, B.D.; Brea, J.; Cobos, E.J., Vázquez S.; "Synthesis, In Vitro Profiling, and In Vivo Evaluation of Benzohomoadamantane-Based Ureas for Visceral Pain: A New Indication for Soluble Epoxide Hydrolase Inhibitors" J. Med. Chem., 2022, 65, 13660-13680

  7. Calvó-Tusell, C.; Maria-Solano, M. A.; Osuna, S.; Feixas, F.; “Time Evolution of the Millisecond Allosteric Activation of Imidazole Glycerol Phosphate Synthase” J. Am. Chem. Soc. 2022, 144, 7146-7159

  8. Codony, S.; Pont, C.; Griñán-Ferré, C.; Pede-Mattatelli, A. D.; Calvó-Tusell, C.; Feixas, F.; Osuna, S.; Jarné-Ferrer, J.; Naldi, M.; Bartolini, M.; Loza, M. I.; Brea, J.; Pérez, B.; Bartra, C.; Sanfeliu, C.; Juárez-Jiménez, J.; Morisseau, C.; Hammock, B. D.; Pallàs, M.; Vázquez, S.; Muñoz-Torrero. D.; "Discovery and in Vivo Proof-of-Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer’s Disease" J. Med. Chem., 2022, 65, 4909-4925

  9. Liu, Z.; Calvó-Tusell, C.; Zhou, A. Z.; Chen, K.; Garcia-Borràs, M.; Arnold, F. H.; "Dual- Function Enzyme Catalysis for Enantioselective Carbon–Nitrogen Bond Formation" Nat. Chem., 2021, 13,12, 1166-1172.

  10. Codony, S.; Calvó-Tusell, C.; Valverde, E.; Osuna, S.; Morisseau, C.; Loza, M. I.; Brea, J. M.; Pérez, C.; Rodríguez-Franco, M. L.; Pizarro,J.; Corpas, R.; Griñán-Ferré, C.; Pallàs, M.; Sanfeliu,C.; Vázquez-Carrera, M.; Hammock, B. D.; Feixas, F.; Vázquez, S; "From the Design to the In Vivo Evaluation of Benzohomoadamantane-Derived Soluble Epoxide Hydrolase Inhibitors for the Treatment of Acute Pancreatitis" J. Med. Chem., 2021, 64, 9, 5429-5446.

  11. Calzadiaz-Ramírez, L‡; Calvó-Tusell, C.‡, Stoffel, G.‡; Lindner, S. N.; Osuna, S.; Erb, T. J.; Garcia-Borràs, M.; Bar-Even, A., Acevedo-Rocha, C. G.; "In vivo selection for formate dehydrogenases with high efficiency and specificity towards NADP+" ACS Catal., 2020, 10, 14, 7512–7525.

    (‡Equally contributed authors)

Contact

Location:

University of California, San Diego