Rommie E. Amaro

University of California San Diego — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

62h-index14.4kcitations422works3.92yr avg
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Research Topics

Protein Structure and Dynamics(128), Computational Drug Discovery Methods(94), SARS-CoV-2 and COVID-19 Research(49), Influenza Virus Research Studies(44), Monoclonal and Polyclonal Antibodies Research(37)

Publications422 total

Revealing the Impact of pH on Lipase Structure and Surface Propensity at the Air–Water Interface and in Aqueous Aerosols
The Journal of Physical Chemistry Letters·2026Open Access
Toward In Situ Dynamics of DNA-Bound Full-Length p53 Tetramer
Journal of Chemical Information and Modeling·2026
Discovery of Tetrahydroisoquinoline-Based SARS-CoV-2 Helicase Inhibitors with Iterative, Deep Learning-Enhanced Virtual Screening
Journal of Chemical Information and Modeling·2025
Detection of Gas Bubbles and Local Voids in Molecular Simulations using burbuja
2025Open Access
Structural Dynamics and Allosteric Communication of a SARS-Like Bat Coronavirus Spike Glycoprotein
2025Open Access
Understanding Aerosol-Mediated Disease Transmission
ACS Central Science·2025Open Access
In silico Drug Discovery: Bridging the Gaps in Preclinical Translation
Drug Discovery Today·2025
pH-induced structural changes in SARS-CoV-2 spike variants
2025Open Access
A split luciferase system for studying coronavirus Mpro dimerization in vitro and in living cells
Journal of Biological Chemistry·2025Open Access
Challenges in biomolecular simulations
Biophysical Journal·2025Open Access
Development of a Real-Time Fluorescence-Based Deamination Assay and Identification of Inhibitors of Human Cytidine Deaminase
ACS Chemical Biology·2025· 1 cited
An unconventional HxD motif orchestrates coatomer-dependent coronavirus morphogenesis
2025Open Access
Towards In Situ Dynamics of DNA-bound Full-Length p53 Tetramer
2025Open Access
Markovian state models uncover casein kinase 1 dynamics that govern circadian period
Biophysical Journal·2025· 1 citedOpen Access
Optimal message passing for molecular prediction is simple, attentive and spatial
arXiv (Cornell University)·2025Open Access
seekrflow: Towards end-to-end automated simulation pipeline with machine-learned force fields for accelerated drug-target kinetic and thermodynamic predictions
2025Open Access
Nootropic benzothiazoles promote dendritic spine formation by targeting fascin-1
Journal of Biological Chemistry·2025· 1 citedOpen Access
Conformational Dynamics and Activation of Membrane-Associated Human Group IVA Cytosolic Phospholipase A <sub>2</sub> (cPLA <sub>2</sub> )
The Journal of Physical Chemistry Letters·2025· 2 citedOpen Access
Multiple steps of dynein activation by Lis1 visualized by cryo-EM
Nature Structural & Molecular Biology·2025· 1 citedOpen Access
All-atom virus simulations to tackle airborne disease
Current Opinion in Structural Biology·2025· 1 citedOpen Access
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Frequent Co-authors

Lorenzo Casalino(11), J. Andrew McCammon(11), Zied Gaieb(7), Jacob D. Durrant(7), Abigail C. Dommer(6), Özlem Demir(5), Lane Votapka(5), Michael K. Gilson(5), Jason S. McLellan(4), Fiona L. Kearns(4), Victoria A. Feher(4), Michael Chiu(4), Huanwang Yang(4), S.K. Burley(4), W. Patrick Walters(4), Emília P. Barros(3), Terra Sztain(3), Surl-Hee Ahn(3), Anthony T. Bogetti(3), Lillian T. Chong(3)