Publications

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Journal Article
Petroff JT, Dietzen NM, Santiago-McRae E, Deng B, Washington MS, Chen LJ, K. Moreland T, Deng Z, Rau M, Fitzpatrick JAJ et al..  2022.  Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation. Nature Communications. 13
Hénin J, Chipot C.  2004.  Overcoming free energy barriers using unconstrained molecular dynamics simulations. J. Chem. Phys.. 121:2904–2914.
Versini R., Sritharan S., B. Fas A, Tubiana T., Aimeur S.Z, Henri J., Erard M., Nüsse O., Andreani J., Baaden M. et al..  2024.  A Perspective on the Prospective Use of AI in Protein Structure Prediction. J Chem Inf Model. 64:26–41.
Hénin J, Salari R, Murlidaran S, Brannigan G.  2014.  A predicted binding site for cholesterol on the GABAA receptor.. Biophys. J.. 106:1938–1949.
Hénin J, Maigret B., Tarek M, Escrieut C., Fourmy D., Chipot C.  2006.  Probing a model of a GPCR/ligand complex in an explicit membrane environment: The human cholecystokinin-1 receptor. Biophys. J.. 90:1232–1240.
Sutherland GA, Grayson KJ, Adams NBP, Mermans DMJ, Jones AS, Robertson AJ, Auman DB, Brindley AA, Sterpone F, Tuffery P et al..  2018.  Probing the quality control mechanism of the twin-arginine translocase with folding variants of a -designed heme protein.. J Biol Chem. 293(18):6672-6681.
Sutherland GA, Grayson KJ, Adams NBP, Mermans DMJ, Jones AS, Robertson AJ, Auman DB, Brindley AA, Sterpone F, Tuffery P et al..  2018.  Probing the quality control mechanism of the twin-arginine translocase with folding variants of a -designed heme protein.. J Biol Chem. 293(18):6672-6681.
Gelly J.-C, Etchebest C., Hazout S., de Brevern A.G.  2006.  Protein Peeling 2: a web server to convert protein structures into series of protein units. Nucleic Acids Res.. 34:W75-W78.
Gelly JC, de Brevern AG, Hazout S.  2006.  `Protein Peeling': an approach for splitting a 3D protein structure into compact fragments. Bioinformatics. 22:129–133.
Berkovich R., Hermans R.I, Popa I., Stirnemann G, Garcia-Manyes S., Berne B.J, Fernandez J.M.  2012.  Rate limit of protein elastic response is tether dependent. Proc. Natl. Acad. Sci. U.s.a.. 109:14416–14421.
Laage D, Stirnemann G, Sterpone F, Rey R, Hynes JT.  2011.  Reorientation and Allied Dynamics in Water and Aqueous Solutions. Annu. Rev. Phys. Chem.. 62:395–416.
Rahaman O, Kalimeri M, Melchionna S, Hénin J, Sterpone F.  2015.  Role of Internal Water on Protein Thermal Stability: The Case of Homologous G Domains.. J. Phys. Chem. B. 119:8939–49.
Adkins NL, McBryant SJ, Johnson CN, Leidy JM, Woodcock CL, Robert CH, Hansen JC, Georgel PT.  2009.  Role of nucleic acid binding in Sir3p-dependent interactions with chromatin fibers.. Biochemistry. 48:276–288.
Heddi B., Abi-Ghanem J., Lavigne M., Hartmann B..  2010.  Sequence-dependent DNA flexibility mediates DNase I cleavage. J. Mol. Biol.. 395:123–133.
Heddi B., Abi-Ghanem J., Lavigne M., Hartmann B..  2010.  Sequence-dependent DNA flexibility mediates DNase I cleavage. J. Mol. Biol.. 395:123–133.
Phillips J, Hardy D, Maia J, Stone J, Ribeiro J, Bernardi R, Buch R, Fiorin G, Hénin J, Jiang W et al..  2020.  Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of Chemical Physics. 153
Phillips J, Hardy D, Maia J, Stone J, Ribeiro J, Bernardi R, Buch R, Fiorin G, Hénin J, Jiang W et al..  2020.  Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of Chemical Physics. 153
Kozin S.A, Bertho G., Mazur AK, Rabesona H., Girault J.P, Haertle T., Takahashi M., Debey P., Hoa G.H.  2001.  Sheep prion protein synthetic peptide spanning helix 1 and beta-strand 2 (residues 142-166) shows beta-hairpin structure in solution. J. Biol. Chem.. 276:46364–46370.
Kozin S.A, Bertho G., Mazur AK, Rabesona H., Girault J.P, Haertle T., Takahashi M., Debey P., Hoa G.H.  2001.  Sheep prion protein synthetic peptide spanning helix 1 and beta-strand 2 (residues 142-166) shows beta-hairpin structure in solution. J. Biol. Chem.. 276:46364–46370.
Robert CH, Ho PS.  1995.  Significance of bound water to local chain conformations in protein crystals. Proc. Natl. Acad. Sci. U.s.a.. 92:7600–7604.
Hubert P, Sawma P, Duneau J-P, Khao J, Hénin J, Bagnard D, Sturgis J.  2010.  Single-spanning transmembrane domains in cell growth and cell-cell interactions: More than meets the eye? Cell Adh. Migr.. 4:313–324.
Hubert P, Sawma P, Duneau J-P, Khao J, Hénin J, Bagnard D, Sturgis J.  2010.  Single-spanning transmembrane domains in cell growth and cell-cell interactions: More than meets the eye? Cell Adh. Migr.. 4:313–324.
Lesage A., Lelièvre T., Stoltz G., Hénin J.  2017.  Smoothed biasing forces yield unbiased free energies with the extended-system Adaptive Biasing Force method. J. Phys. Chem. B. 121(15):3676–3685.
Chiche L, Heitz A, Gelly JC, Gracy J, Chau PTT, Ha PT, Hernandez JF, Le-Nguyen D.  2004.  Squash inhibitors: From structural motifs to macrocyclic knottins. Current Protein \& Peptide Science. 5:341–349.
Chiche L, Heitz A, Gelly JC, Gracy J, Chau PTT, Ha PT, Hernandez JF, Le-Nguyen D.  2004.  Squash inhibitors: From structural motifs to macrocyclic knottins. Current Protein \& Peptide Science. 5:341–349.

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