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Abigail Dommer, PhD

Computational Chemist
Postdoctoral Scholar
Laboratory of Dr. Siewert Marrink
University of Groningen
acdommer@gmail.com

Publications

Publications to date: 17

Last Updated: August 30, 2024

†Shared Authorship

2024

Interfacial Enrichment of Lauric Acid Assisted by Long-Chain Fatty Acids, Acidity, and Salinity at Sea Spray Aerosol Surfaces

Dommer, A. C.† and Rogers, M. M.†, Carter-Fenk, K. A.; Wauer, N. A.; Rubio, P. B.; Davasam, A.; Allen, H. C.; and Amaro, R. E. The Journal of Physical Chemistry A. 2024, 128, 34, 7195-7207. DOI: 10.1021/acs.jpca.4c03335. View Online➔


2023

Revealing the Impacts of Chemical Complexity on Submicrometer Sea Spray Aerosol Morphology.

Dommer, A. C.; Wauer, N. A.; Angle, K. J.; Davasam, A.; Rubio, P. B.; Luo, M.; Morris, C. K.; Prather, K. A.; Grassian, V. H.; Amaro, R. E. ACS Central Science. 2023. DOI: 10.1021/acscentsci.3c00184. View Online➔


#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol.

Dommer, A., † Casalino, L.,† and Kearns, F. †; Rosenfeld, M.; Wauer, N.; Ahn, S-H.; 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, D.; Qiao, Z.; Sirumalla, S.; 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.; Williams, M.; Barker, B.; Rajapaksha, H.; Pitts, R.; Gibbs, T.; Stone, J.; Zuckerman, D.; Mulholland, A.; Miller, T.; Jha, S.; Ramanathan, A.; Chong, L.; Amaro, R. Int. J. High Perform. Comput. Appl. 2023. 37, 1, 28-44. DOI: 10.1177/10943420221128233. View Online➔


2022

Amino Acids are Driven to the Interface by Salts and Acidic Environments.

Angle, K. A.; Nowak, C. M.; Davasam, A.; Dommer, A.C.; Wauer, N. A.; Amaro, R. E.; Grassian, V. H. J. Phys. Chem. Lett. 2022, 13, 12, 2824-2829. DOI: 10.1021/acs.jpclett.2c00321. View Online➔


2021

Calcium bridging drives polysaccharide co-adsorption to a proxy sea surface microlayer.

Carter-Fenk, K. A.; Dommer, A. C.; Fiamingo, M. E.; Kim, J. J.; Amaro, R. E.; Allen, H. C. Phys. Chem. Chem. Phys. 2021, 23, 16401-16416. DOI: 10.1039/D1CP01407B. View Online➔


Cation-driven lipopolysaccharide morphological changes impact nitric acid heterogeneous reactivity in sea spray aerosols.

Lee, C. † and Dommer, A. C. †; Schiffer, J. M., Amaro, R. E., Grassian, V. H., Prather, K. A. J. Phys. Chem. Lett. 2021, 12, 20, 5023-5029. DOI: 10.1021/acs.jpclett.1c00810.


AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.

Casalino, L. †, Dommer, A. C. †, and Gaieb, Z. †; Barros, E. P.; Sztain, T.; Ahn, S.; Trifan, A.; Brace, A.; Ma, H.; Lee, H.; Bogetti, A.; Khalid, S.; Chong, L.; Simmerling, C.; Hardy, D. J.; Maia, J. D.; Phillips, J. C.; Kurth, T.; Stern, A.; Huang, L.; McCalpin, J.; Tatineni, M.; Gibbs, T.; Stone, J. E.; Jha, S.; Ramanathan, A.; Amaro, R. E. Int. J. High Perform. Comput. Appl. 2021. DOI:10.117/10943420211006452. (Winner: 2020 ACM Gordon Bell Special Prize) View Online➔


2020

A Multiscale Coarse-grained Model of the SARS-CoV-2 Virion.

Yu, A.; Pak, A. J.; He, P; Monje-Galvan, V.; Casalino, L.; Gaieb, Z.; Dommer, A. C.; Amaro, R. E.; Voth, G. A. Biophys. J. 2020, 120, 6, 1097-1104. DOI: 10.1016/j.bpj.2020.10.048. View Online➔


The flexibility of ACE2 in the context of SARS-CoV-2 Infection.

Barros, E. P.; Casalino, L.; Gaieb, Z.; Dommer, A. C.; Wang, Y.; Fallon, L.; Raguette, L.; Belfon, K.; Simmerling, C.; Amaro, R. E. Biophys. J. 2020, 120, 6, 1072-1084. DOI: 10.1016/j.bpj.2020.10.036. View Online➔


Beyond Shielding: The Roles of Glycans in SARS-CoV-2 Spike Protein.

Casalino, L. † and Gaieb, Z. †; Goldsmith, J. A.; Hjorth, C.; Dommer, A. C.; Harbison, A. M.; Fogarty, C. A.; Barros, E. P.; Taylor, B.C.; McLellan, J. S.; Fadda, E.; Amaro, R. E. ACS Cent. Sci. 2020, 6, 10, 1722-1734. DOI: 10.1021/acscentsci.0c01056. View Online➔


Insights into the Behavior of Nonanoic Acid and Its Conjugate Base at the Air/Water Interface Through a Combined Experimental and Theoretical Approach.

Luo, M.; Wauer, N. A.; Angle, K. J.; Dommer, A. C; Song, M.; Novak, C. M.; Amaro, R. E.; Grassian, V. H. Chem. Sci. 2020, 11, 10647-10656. DOI: 10.1039/D0SC02354J.


Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism.

Durrant, J.† and Kochanek, S.†; Casalino, L.; Ieong, P.; Dommer, A.; Amaro, R. E. ACS Cent. Sci. 2020, 6, 2, 189-196. DOI: 10.1021/acscentsci.9b01071.


2019

Surfactant Charge Modulates Lipase-Embedded Monolayer Stability at Marine-Relevant Aerosol Surfaces.

Luo, M.† and Dommer, A. C.†; Schiffer, J. M.; Rez, D. J.; Mitchell, A. R.; Amaro, R. E.; Grassian, V. H. Langmuir. 2019, 35 (27), 9050-9060. DOI: 10.1021/acs.langmuir.9b00689.


2018

Computational Assay that Explores the Hemagglutinin/Neuraminidase Functional Balance Reveals the Neuraminidase Secondary Site as a Novel Anti-Influenza Target.

Amaro, R. E.; Ieong, P.; Huber, G., Dommer, A.; Alasdair, S.; Bush, R.; Durrant, J.; Votapka, L. A. ACS Cent. Sci. 2018, 4 (11), 1570-1577. DOI: 10.1021/acscentsci.8b00666.


Impacts of Lipase Enzyme on the Surface Properties of Marine Aerosols.

Schiffer, J. M.; Luo, M.; Dommer, A. C.; Thoron, G.; Pendergraft, M.; Santander, M. V.; Lucero, D.; De Barros, E. P.; Prather, K. A.; Grassian, V. H., Amaro, R. E. J. Phys. Chem. Lett. 2018, 9, 14, 3839-3849. DOI: 10.1021/acs.jpclett.8b01363.


2016

A Miniature Marine Aerosol Reference Tank (MiniMART) as a Compact Breaking Wave Analogue

Stokes, M. D.; Deane, G.; Collins, D. B.; Cappa, C.; Bertram, T.; Dommer, A.; Schill, S.; Forestieri, S.; Survilo, M. Atmos. Meas. Tech. 2016, 9 (9), 4257-4267. DOI: 10.5194/amt-2016-149.


Sea Spray Aerosol Structure and Composition Using Cryogenic Transmission Electron Microscopy

Patterson, J. P.; Collins, D. B.; Michaud, J. M.; Axson, J. L.; Sultana, C. M., Moser, T.; Dommer, A. C.; Conner, J.; Grassian, V. H.; Stokes, M. D.; Deane, G. B.; Evans, J. E.; Burkart, M. D.; Prather, K. A.; Gianneschi, N. C. ACS Cent. Sci. 2016. 2 (1), 40-47. DOI: 10.1021/acscentsci.5b0034.


© Abigail C Dommer 2023