Author

J. Henin

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· 4 Biochemistry· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 3 Research Focus:protein folding & dynamics· 3 Approach:statistical model· 3 Approach:experimental assay· 2 Organism:human· 2 Assay:proteomics· 2 Research Focus:chromatin & epigenetic regulation· 1 Research Focus:drug response / drug discovery· 1

Frequent Co-Authors

G. Brannigan· 3 shared E. Santiago-McRae· 2 shared A. Gagelin· 1 shared B. Deng· 1 shared B. Miroux· 1 shared C. Chavez-Garcia· 1 shared C. Largeau· 1 shared D. Calderon-Mora· 1 shared

Activity by Year

2019-2022 · peak 3/yr

Co-Author Collaboration Network

10 top collaborators · 16 mutual co-author links

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3 shared papersBiophysics

G. Brannigan

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Author profile →

5 papers

Recent·Most cited

Computing absolute binding affinities by Streamlined Alchemical Free Energy Perturbation (SAFEP)

E. Santiago-McRae, M. Ebrahimi, J. W. Sandberg, G. Brannigan, J. Henin

The paper introduces SAFEP, a framework for computing free energy of binding using alchemical free energy perturbation in NAMD, with a practical example on phenol to lysozyme.

bioRxiv · Dec 9, 2022 · PreprintBiophysics

Molecular determinants of inhibition of UCP1-mediated respiratory uncoupling

A. Gagelin, C. Largeau, S. Masscheleyn, M. Piel, D. Calderon-Mora, F. Bouillaud, J. Henin, B. Miroux

This study identifies molecular mechanisms by which purine nucleotides inhibit UCP1-mediated respiratory uncoupling using simulations and mutagenesis.

bioRxiv · Dec 9, 2022 · PreprintBiophysics

Structural mechanism of leaflet-specific phospholipid modulation of a pentameric ligand-gated ion channel

J. T. Petroff, N. M. Dietzen, E. Santiago-McRae, B. Deng, M. S. Washington, L. J. Chen, K. T. Moreland, Z. Deng, M. Rau, J. A. Fitzpatrick, P. Yuan, T. T. Joseph, J. Henin, G. Brannigan, W. W. Cheng

The paper shows phosphatidylglycerol stabilizes the open state of ELIC by binding to a specific outer leaflet site, identified through structural and functional analyses.

bioRxiv · Jun 7, 2022 · PreprintBiophysics

A multiscale computational study of the conformation of the full-length intrinsically disordered protein MeCP2

C. Chavez-Garcia, J. Henin, M. Karttunen

This study uses computational methods to model the full-length disordered protein MeCP2, identifying two main conformations and validating the model against experimental data.

bioRxiv · Nov 8, 2021Biochemistry

Competitive dewetting underlies site-specific binding of general anesthetics to GABA(A) receptors

S. Murlidaran, J. Henin, G. Brannigan

This study calculates the affinity of general anesthetics for GABA(A) receptor intersubunit cavities using molecular dynamics and free energy perturbation, finding that water displacement predicts binding affinity.

bioRxiv · Jul 8, 2019 · PreprintBiophysics