Author

S.-H. Ahn

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 5 Biochemistry· 1 Cancer Biology· 1

Signature Assays, Organisms & Methods

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Approach:simulation· 4 Organism:virus· 4 Approach:deep learning· 3 Research Focus:drug response / drug discovery· 2 Research Focus:host-pathogen & immune response· 2 Organism:human· 2 Research Focus:protein folding & dynamics· 2 Assay:structural biology· 2

Frequent Co-Authors

L. Casalino· 4 shared R. E. Amaro· 3 shared A. Bogetti· 2 shared A. Brace· 2 shared A. Stern· 2 shared A. Trifan· 2 shared D. Hardy· 2 shared F. L. Kearns· 2 shared

Activity by Year

2020-2024 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 38 mutual co-author links

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4 shared papersBiophysics

L. Casalino

Mutual co-authors in cluster

Author profile →

7 papers

Recent·Most cited

Targeting Tuberculosis: Novel Scaffolds for Inhibiting Cytochrome bd Oxidase

C. Seitz, S.-H. Ahn, H. Wei, M. Kyte, G. Cook, K. Krausd, J. A. McCammon

This study identifies six new cytochrome bd inhibitor scaffolds through computational screening and validates their activity against Mycobacterium tuberculosis.

bioRxiv · Feb 28, 2024Biochemistry

Simulation-Driven Design of Stabilized SARS-CoV-2 Spike S2 Immunogens

X. Nuqui, L. Casalino, L. Zhou, M. Shehata, A. Wang, A. L. Tse, A. Ojha, F. L. Kearns, M. A. Rosenfeld, E. H. Miller, C. M. Acreman, S.-H. Ahn, K. Chandran, J. S. McLellan, R. E. Amaro

This study designs stabilized SARS-CoV-2 S2 immunogens using simulation-driven approaches, showing improved stability and immunogenicity.

bioRxiv · Oct 24, 2023Biophysics

Elucidating Molecular Mechanisms of Protoxin-2 State-specific Binding to the Human NaV1.7 Channel

K. Ngo, D. L. Mateos, Y. Han, K. C. Rouen, S.-H. Ahn, H. Wulff, C. E. Clancy, V. Yarov-Yarovoy, I. Vorobyov

This study uses computational modeling to investigate how protoxin-2 binds to different states of the hNaV1.7 channel, identifying key residues and lipid interactions that contribute to its selectivity.

bioRxiv · Feb 27, 2023Biophysics

#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, S.-H. Ahn, J. Russo, S. Oliveira, C. Morris, A. Bogetti, A. Trifan, A. Brace, T. Sztain, A. Clyde, H. Ma, , Muholland

This paper uses AI-enabled multiscale computational microscopy to study SARS-CoV-2 Delta variant in respiratory aerosols, revealing atomic-level insights into airborne transmission.

bioRxiv · Nov 12, 2021Biophysics

A glycan gate controls opening of the SARS-CoV-2 spike protein

T. E. Sztain, S.-H. Ahn, A. T. Bogetti, L. Casalino, J. A. Goldsmith, E. Seitz, R. S. McCool, F. L. Kearns, F. Acosta-Reyes, S. Maji, G. Mashayekhi, J. A. McCammon, A. Ourmazd, J. Frank, J. S. McLellan, , R. E. Amaro

This study identifies a glycan gate and key residues that facilitate SARS-CoV-2 spike protein RBD opening through simulations and experimental validation.

bioRxiv · Feb 15, 2021Biophysics

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

L. Casalino, A. C. Dommer, Z. Gaieb, E. P. Barros, T. Sztain, S.-H. Ahn, A. Trifan, A. Brace, H. Ma, H. Lee, M. Turilli, A. Bogetti, S. Khalid, L. Chong, C. Simmerling, , R. E. Amaro

This paper develops an AI-driven workflow to simulate SARS-CoV-2 spike protein dynamics, revealing glycan shield structure, spike glycans' role in infectivity, and spike-ACE2 interactions.

bioRxiv · Nov 19, 2020Biophysics

Targeted Eicosanoid Profiling Reveals MicroRNA-155 Shifts PGE2/PGD2 Balance Towards Oncogenic State

S. Kim, E. S. Lee, E. J. Lee, J. Y. Jung, S. B. Lee, H. J. Lee, J. Kim, H. J. Kim, J. W. Lee, B. H. Son, G.-Y. Gong, S.-H. Ahn, S. Chang

This study shows miR-155 shifts PGE2/PGD2 balance towards an oncogenic state by regulating enzymes involved in prostaglandin synthesis.

bioRxiv · Apr 8, 2020 · PreprintCancer Biology