Topic
Institution

Preprints

2. A. Nguyen, J. B. Heim, G. Cordara, M. C. Chan, H. Johannesen, C. Charlesworth, M. Li, C. M. Azumaya, B. Madden, U. Krengel, others, “Shared ligand-blocking mechanism but distinct conformational modulation by α5-targeting antibodies BIIG2 and MINT1526A”, In review. Preprint

Fred Hutch
SERT deep mutagenesis

1. H. J. Young*, M. C. Chan*, B. Selvam, S. K. Szymanski, D. Shukla, E. Procko, “Deep mutagenesis of a neurotransmitter transporter for uptake of a non-native substrate informs how sequence features relate to conformational dynamics”, In review. Preprint

Transporter Machine Learning UIUC

Peer-Reviewed Manuscripts

12. J. A. Hollis, M. C. Chan, H. S. Malik, M. G. Campbell, “Molecular exaptation by the integrin αI domain”, Science Advances, 11(37), eadx9567, (2025). DOI

Fred Hutch

11. H. Osuga*, M. C. Chan*, K. Brower*, L. J. Ray, J. T. Chowning, “Ten simple rules for running a virtual program to introduce computational biology at the high school level”, PLOS Computational Biology, 21(12), e1013830, (2025). DOI

Fred Hutch

10. R. Gen, A. Addetia, D. Asarnow, Y. Park, J. Quispe, M. C. Chan, J. T. Brown, J. Lee, M. G. Campbell, C. P. Lapointe, others, “SARS-CoV-2 nsp1 mediates broad inhibition of translation in mammals”, Cell Reports, 44(5), (2025). DOI

COVID-19 mRNA Translation Fred Hutch
BicA bicarbonate transporter

9. M. C. Chan, Y. Alfawaz, A. Paul, D. Shukla, “Molecular insights into the elevator-type mechanism of the cyanobacterial bicarbonate transporter BicA”, Biophysical Journal, 124(2), 379–392, (2025). DOI

Transporter Molecular Dynamics UIUC
N-linked glycosylation SLC6 transporters

8. M. C. Chan, D. Shukla, “The effects of N-linked glycosylation on SLC6 transporters”, Journal of Chemical Information and Modeling, 63(9), 2748–2758, (2023). DOI

Transporter Molecular Dynamics UIUC
Cover Article

Featured on the cover of Journal of Chemical Information and Modeling.

ACE2 machine learning design

7. M. C. Chan, K. K. Chan, E. Procko, D. Shukla, “Machine learning guided design of high affinity ACE2 decoys for SARS-CoV-2 neutralization”, The Journal of Physical Chemistry B, 127(9), 1995–2001, (2023). DOI

Machine Learning COVID-19 UIUC
pSERT phosphorylation intracellular gate

6. M. C. Chan, E. Procko, D. Shukla, “Structural rearrangement of the serotonin transporter intracellular gate induced by Thr276 phosphorylation”, ACS Chemical Neuroscience, 13(7), 933–945, (2022). DOI

Transporter Molecular Dynamics UIUC
Cover Article

Featured on the cover of ACS Chemical Neuroscience.

SERT substrate import mechanism

5. M. C. Chan*, B. Selvam*, H. J. Young, E. Procko, D. Shukla, “The substrate import mechanism of the human serotonin transporter”, Biophysical Journal, 121(5), 715–730, (2022). DOI

Transporter Molecular Dynamics UIUC
Cover Article

Featured on the cover of Biophysical Journal and the BPS Blog.

Engineered ACE2 decoy SARS-CoV-2

4. L. Zhang, S. Dutta*, S. Xiong*, M. Chan*, K. K. Chan, T. M. Fan, K. L. Bailey, M. Lindeblad, L. M. Cooper, L. Rong, others, “Engineered ACE2 decoy mitigates lung injury and death induced by SARS-CoV-2 variants”, Nature Chemical Biology, 18(3), 342–351, (2022). DOI

COVID-19 Molecular Dynamics UIUC

Featured in UIC Today and the NIH Director's Blog.

Markov state modeling membrane transport

3. M. C. Chan, D. Shukla, “Markov state modeling of membrane transport proteins”, Journal of Structural Biology, 213(4), 107800, (2021). DOI

Molecular Dynamics Review UIUC
Shape of water in zeolites

2. D. T. Bregante, M. C. Chan, J. Z. Tan, E. Z. Ayla, C. P. Nicholas, D. Shukla, D. W. Flaherty, “The shape of water in zeolites and its impact on oxidation catalysis”, Nature Catalysis, 4(9), 797–808, (2021). DOI

Catalysis Molecular Dynamics UIUC

Featured in the Illinois News Bureau.

TLmutation transfer learning mutations

1. Z. Shamsi*, M. Chan*, D. Shukla, “TLmutation: Predicting the effects of mutations using transfer learning”, The Journal of Physical Chemistry B, 124(19), 3845–3854, (2020). DOI

Machine Learning UIUC

Book Chapter

1. R. G. Hammond, X. Tan, M. Chan, A. Goel, M. A. Johnson, “Computational and experimental studies of ADP-ribosylation”, in Methods in Molecular Biology: Poly(ADP-Ribose) Polymerase, A. Tulin (ed.), Springer, 2017. DOI

Review UAB