Publications

  1. I. Maffucci, D. Laage, F. Sterpone and G. Stirnemann, Thermal adaptation of enzymes: impacts of conformational shifts on catalytic activation energy and optimum temperature, Chem. Eur. J. 26, 10045-56 (2020) invited Special Issue "Young Chemists 2020", selected as a Very Important Paper

  2. I. Maffucci, D. Laage, G. Stirnemann and F. Sterpone, Differences in thermal structural changes and melting between mesophilic and thermophilic dihydrofolate reductase enzymes, Phys. Chem. Chem. Phys. 22, 18361-73 (2020) included in the Editor's selection of 2020's PCCP HOT papers

  3. Y. Zhang, G. Stirnemann, J. T. Hynes, D. Laage, Water dynamics at electrified graphene interfaces: a jump model perspective, Phys. Chem. Chem. Phys. 22, 10581-91 (2020)

  4. K. Röder, G. Stirnemann, A.-C. Dock-Bregeon, D. J. Wales and S. Pasquali, Structural transitions in the RNA 7SK 5′ hairpin and their effect on HEXIM binding, Nucleic Acids Res. 48, 373-89 (2020)

  5. D. Laage and G. Stirnemann, Effect of Ions on Water Dynamics in Dilute and Concentrated Aqueous Salt Solutions, J. Phys. Chem. B 123, 3312-24 (2019) invited Special Issue "Young Scientists"

  6. O. Languin-Cattoen, S. Melchionna, P. Derreumaux, G. Stirnemann, and F. Sterpone, Three Weaknesses for Three Perturbations: Comparing Protein Unfolding Under Shear, Force, and Thermal Stresses, J. Phys. Chem. B 122, 11922-30 (2018)

  7. M. E. Guerin, G. Stirnemann, and D. Giganti, Conformational entropy of a single peptide controlled under force governs protease recognition and catalysis, Proc. Natl. Acad. Sci. USA 115, 11525-30 (2018)

  8. A. Beedle, M. Mora, C. T. Davis, A. P. Snijders, G. Stirnemann and S. Garcia-Manyes, Forcing the Reversibility of a Mechanochemical Reaction,  Nat. Commun. 9, 3155 (2018)

  9. R. Berkovich, V. I. Fernandez, G. Stirnemann, J. Valle-Orero and J. M. Fernandez, Segmentation and the Entropic Elasticity of Modular Proteins, J. Phys. Chem. Lett. 9, 4707-13 (2018)

  10. J.-C. Röper, D. Mitrossilis, G. Stirnemann, F. Waharte, I. Brito, M.-E. Fernandez-Sanchez, M. Baaden, J. Salamero and E. Farge, The Major β-catenin/E-cadherin Junctional Binding Site is a Primary Molecular Mechano-Transductor of Differentiation in Vivo, eLife 7, e33381 (2018)

  11. Y. Wang, P. Rico-Lastres, A. Lezamiz, M. Mora, C. Solsona, G. Stirnemann and S. Garcia-Manyes, DNA Binding Induces a Nanomechanical Switch in the RRM1 Domain of TDP-43, J. Phys. Chem. Lett. 9, 3800-7 (2018)

  12. G. Stirnemann, P. Jungwirth and D. Laage, Water Dynamics in Concentrated Electrolytes: Local Ion Effect on Hydrogen-Bond Jumps rather than Collective Coupling to Ion Clusters, Proc. Natl. Acad. Sci. USA 115, E4953-4 (2018)

  13. J. Perales-Calvo, D. Giganti, G. Stirnemann and S. Garcia-Manyes, The force-dependent mechanism of DnaK-mediated mechanical folding, Sci. Adv. 4, eaaq0243 (2018)

  14. G. Stirnemann, E. Duboué-Dijon and D. Laage, Ab Initio Simulations of Water Dynamics in Aqueous TMAO Solutions: Temperature and Concentration Effects, J. Phys. Chem. B 121, 11189-11197 (2018)

  15. G. Stirnemann and F. Sterpone, Mechanics of Protein Adaptation to High Temperatures, J. Phys. Chem. Lett 8, 5884-90 (2017)

  16. M. Katava, G. Stirnemann, M. Zanatta, S. Capaccioli, M. Pachetti, K. L. Ngai, F. Sterpone and A. Paciaroni, Critical Structural Fluctuations of Proteins at the Thermal Unfolding: Challenging the Lindemann Criterion, Proc. Natl. Acad. Sci. USA 114, 9361-6 (2017)

  17. A. Beedle, M. Mora, S. Lynham, G. Stirnemann and S. Garcia-Manyes, Tailoring Protein Nanomechanics with Chemical Reactivity,  Nat. Commun. 8, 15658 (2017)

  18. M. Katava, M. Kalimeri, G. Stirnemann and F. Sterpone, Stability and Function at High Temperature. What Makes a Thermophilic GTPase Different from Its Mesophilic Homologue, J. Phys. Chem. B 120, 2721-30 (2016)

  19. S. Xiao, F. Figge, G. Stirnemann, D. Laage, and J. A. McGuire, Orientational Dynamics of Water at an Extended Hydrophobic Interface, J. Am. Chem. Soc. 138, 5551–60 (2016)

  20. G. Stirnemann and F. Sterpone, Recovering Protein Thermal Stability Using All-Atom Hamiltonian Replica-Exchange Simulations in Explicit Solvent, J. Chem. Theo. Chem. 11, 5573-7 (2015)

  21. J. Mondal, D. Halverson, I. T. S. Li, G. Stirnemann, G. C. Walker and B. J. Berne, How Osmolytes Influence Hydrophobic Polymer Conformations: A Unified View from Experiment and Theory, Proc. Natl. Acad. Sci. USA 112, 9270-5 (2015)

  22. A. Beedle, A. Lezamiz, G. Stirnemann and S. Garcia-Manyes, The Mechanochemistry of Copper Reports on the Directionality of Unfolding in Model Cupredoxin Proteins, Nat. Commun. 6, 7894 (2015)

  23. J. Valle-Orero, E. C. Eckels, G. Stirnemann, I. Popa, R. Berkovich and J. M. Fernandez, The Elastic Free Energy of a Tandem Modular Protein under Force, Biochem. Biophys. Res. Commun. 460, 434-8 (2015)

  24. G. Stirnemann, S-g Kang, R. Zhou and B. J. Berne, How Force Unfolding Differs from Chemical Denaturation, Proc. Natl. Acad. Sci. USA 111, 3413-8 (2014)

  25. G. Stirnemann, E. Wernersson, P. Jungwirth and D. Laage, Mechanisms of Acceleration and Retardation of Water Dynamics by Ions, J. Am. Chem. Soc. 135, 11824-31 (2013)

  26. J. Mondal, G. Stirnemann and B. J. Berne, When Does Trimethylamine N-Oxide Fold a Polymer Chain and Urea Unfold It?, J. Phys. Chem. B 117, 8723-32 (2013)

  27. G. Stirnemann, D. Giganti, J. M. Fernandez and B. J. Berne, Elasticity, Structure and Relaxation of Extended Proteins under Force, Proc. Natl. Acad. Sci. USA 110, 3847-52 (2013)

  28. R. Berkovich, R. I. Hermans, I. Popa, G. Stirnemann, S. Garcia-Manyes, B. J. Berne and J. M. Fernandez, Rate Limit of Protein Elastic Response is Tether Dependent, Proc. Natl. Acad. Sci. USA 109, 14416-21 (2012)

  29. G. Stirnemann and D. Laage, Communication: On the Origin of the Non-Arrhenius Behavior in Water Reorientation Dynamics, J. Chem. Phys. 137, 031101 (2012)

  30. D. Laage, G. Stirnemann and J. T. Hynes, Water Jump Reorientation and Ultrafast Vibrational Spectroscopy , J. Photochem. Photobiol. A 234, 75-82 (2012)

  31. F. Sterpone, G. Stirnemann and D. Laage, Communication: Magnitude and Molecular Origin of Water Slowdown Next to a Protein, J. Am. Chem. Soc. 134, 4116-9 (2012)

  32. D. Laage, G. Stirnemann, F. Sterpone and J. T. Hynes, Water Jump Reorientation: From Theoretical Prediction to Experimental Observation, Acc. Chem. Res. 45, 53-62 (2012)

  33. A. A. Vartia, K. R. Mitchell-Koch, G. Stirnemann, D. Laage and W. H. Thompson, On the Reorientation and Hydrogen-Bond Dynamics of Alcohols, J. Phys. Chem. B 115, 12173-8 (2011)

  34. G. Stirnemann, F. Sterpone and D. Laage, Dynamics of Water in Concentrated Solutions of Amphiphiles: Key Roles of Local Structure and Aggregation, J. Phys. Chem. B 115, 3254-62 (2011)

  35. D. Laage, G. Stirnemann, F. Sterpone, R. Rey and J. T. Hynes, Reorientation and Allied Dynamics in Water and Aqueous Solutions, Annu. Rev. Phys. Chem. 62, 395-416 (2011)

  36. J. Boisson, G. Stirnemann, D. Laage and J. T. Hynes, Water Reorientation Dynamics in the First Hydration Shells of F- and I-, Phys. Chem. Chem. Phys. 13, 19895-901 (2011)

  37. G. Stirnemann, S. R. V. Castrillon, J. T. Hynes, P. J. Rossky, P. G. Debenedetti and D. Laage, Non-Monotonic Dependence of Water Reorientation Dynamics on Surface Hydrophilicity: Competing Effects of the Hydration Structure and Hydrogen-Bond Strength, Phys. Chem. Chem. Phys. 13, 19911-7 (2011)

  38. D. Laage, G. Stirnemann and J. T. Hynes, Water Reorientation in the Hydration Shells of Hydrophilic and Hydrophobic Solutes, Science China Phys. Mech. & Ast. 53, 1068-72 (2010)

  39. G. Stirnemann and D. Laage, Direct Evidence of Angular Jumps During Water Reorientation Through Two-Dimensional Infrared Anisotropy, J. Phys. Chem. Lett. 1, 1511-5 (2010)

  40. G. Stirnemann, J. T. Hynes and D. Laage, Water Hydrogen Bond Dynamics in Aqueous Solutions of Amphiphiles, J. Phys. Chem. B 114, 3052-9 (2010)

  41. F. Sterpone, G. Stirnemann, J. T. Hynes and D. Laage, Water Hydrogen-Bond Dynamics around Amino Acids: The Key Role of Hydrophilic Hydrogen-Bond Acceptor Groups, J. Phys. Chem. B 114, 2083-9 (2010)

  42. G. Stirnemann, P. J. Rossky, J. T. Hynes and D. Laage, Water Reorientation, Hydrogen-Bond Dynamics and 2D-IR Spectroscopy Next to an Extended Hydrophobic Surface, Faraday Discuss. 146, 263-81 (2010)

  43. D. Laage, G. Stirnemann and J. T. Hynes, Why Water Reorientation Slows without Iceberg Formation around Hydrophobic Solutes, J. Phys. Chem. B 113, 2428-35 (2009)

  44. F. Cailliez, G. Stirnemann, A. Boutin, I. Demachy and A. H. Fuchs, Does Water Condense in Hydrophobic Cavities? A Molecular Simulation Study of Hydration in Heterogeneous Nanopores, J. Phys. Chem. C 112, 10435-45 (2008)