Author

H. Mchaourab

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· 10

Signature Assays, Organisms & Methods

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Approach:deep learning· 5 Assay:protein structure· 5 Approach:experimental assay· 4 Research Focus:protein folding & dynamics· 4 Research Focus:protein structure prediction· 4 Assay:cryo-EM· 3 Approach:statistical model· 3 Organism:bacteria (other)· 2

Frequent Co-Authors

J. Meiler· 7 shared A. Gulsevin· 4 shared A. K. Kenworthy· 3 shared B. Han· 3 shared E. Karakas· 3 shared R. A. Stein· 3 shared D. del Alamo· 2 shared J. C. Porta· 2 shared

Activity by Year

2018-2023 · peak 5/yr

Co-Author Collaboration Network

10 top collaborators · 25 mutual co-author links

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7 shared papersBiophysics

J. Meiler

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10 papers

Recent·Most cited

Approximating conformational Boltzmann distributions with AlphaFold2 predictions

B. P. Brown, R. A. Stein, J. Meiler, H. Mchaourab

This study shows AlphaFold2 contact distance distributions can approximate conformational Boltzmann distributions and predict mutation effects in some protein systems.

bioRxiv · Aug 6, 2023Biophysics

Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter

Q. Tang, M. Sinclair, H. S. Hasdemir, R. A. Stein, E. Karakas, E. Tajkhorshid, H. Mchaourab

This study uses cryo-EM, DEER, and MD simulations to analyze the conformational dynamics of BmrCD, revealing asymmetric ATP and substrate interactions that drive its transport cycle.

bioRxiv · May 29, 2023Biophysics

Template-free prediction of a new monotopic membrane protein fold and oligomeric assembly by Alphafold2

A. Gulsevin, B. Han, J. C. Porta, H. Mchaourab, J. Meiler, A. K. Kenworthy

This study uses AlphaFold2 to predict the structure of caveolin-1, revealing its new fold and oligomeric assembly, but notes limitations in predicting higher-order complexes.

bioRxiv · Jul 12, 2022Biophysics

Structural characterization of a breast cancer-associated mutation in caveolin-1

B. Han, A. Gulsevin, S. Connolly, T. Wang, J. Porta, A. Tiwari, A. Deng, L. Chang, Y. Peskova, H. Mchaourab, E. Karakas, M. D. Ohi, J. Meiler, A. K. Kenworthy

This study examines how a breast cancer-associated mutation in CAV1, P132L, affects its structure and oligomerization, revealing its impact on caveolae formation.

bioRxiv · May 23, 2022 · PreprintBiophysics

Integrated AlphaFold2 and DEER investigation of the conformational dynamics of a pH-dependent APC antiporter

D. del Alamo, L. DeSousa, R. M. Nair, S. Rahman, J. Meiler, H. Mchaourab

This paper investigates the conformational dynamics of the pH-dependent APC antiporter GadC using DEER spectroscopy and AlphaFold2 models, revealing acid-induced structural changes and substrate-specific dynamics.

bioRxiv · Apr 13, 2022 · PreprintBiophysics

First crystal structure of a non-canonical amino acid linked to a paramagnetic lanthanide tag facilitates protein structure determination using NMR-derived restraints

E. N. N. Okwei, S. Ganguly, H. L. Darling, J. M. Harp, A. Gulsevin, I. Coin, H. Mchaourab, K. Ledwitch, G. Kuenze, J. Meiler

The paper presents the first crystal structure of a non-canonical amino acid linked to a paramagnetic lanthanide tag, showing how it improves NMR-derived structural modeling of proteins.

bioRxiv · Apr 10, 2022 · PreprintBiophysics

Molecular architecture of the human caveolin-1 complex

J. C. Porta, B. Han, A. Gulsevin, J. Chung, Y. Peskova, S. Connolly, H. Mchaourab, J. Meiler, E. Karakas, A. K. Kenworthy, M. D. Ohi

The paper uses cryo-electron microscopy to reveal the structure of the human caveolin-1 complex, showing it forms a disc with a flat membrane-binding surface.

bioRxiv · Feb 17, 2022Biophysics

Sampling the conformational landscapes of transporters and receptors with AlphaFold2

D. del Alamo, D. Sala, H. Mchaourab, J. Meiler

This study uses AlphaFold2 to generate multiple conformations of transporters and GPCRs, showing that reducing MSA depth improves conformational sampling accuracy.

bioRxiv · Nov 22, 2021Biophysics

Cryo-EM structure of an elusive pre-transport intermediate of the multidrug transporter BmrCD reveals modes of asymmetric drug binding

T. M. Thaker, S. Mishra, W. Zhou, J. Faraldo-Gomez, H. Mchaourab, T. M. Tomasiak

Cryo-EM and EPR analysis reveal cooperative substrate binding in BmrCD in an architecture primed for transport.

bioRxiv · Mar 13, 2021 · PreprintBiophysics

Confidence Analysis of DEER Data and its Structural Interpretation with Ensemble-Biased Metadynamics

E. J. Hustedt, F. Martinelli, R. A. Stein, J. Faraldo-Gomez, H. Mchaourab

The paper develops methods to assess confidence in DEER data and improves structural interpretation using uncertainty-aware molecular simulations.

bioRxiv · Jul 10, 2018Biophysics