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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
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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
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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)
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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)
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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"
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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G. Stirnemann and F. Sterpone, Mechanics of Protein Adaptation to High Temperatures, J. Phys. Chem. Lett 8, 5884-90 (2017)
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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)
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A. Beedle, M. Mora, S. Lynham, G. Stirnemann and S. Garcia-Manyes, Tailoring Protein Nanomechanics with Chemical Reactivity, Nat. Commun. 8, 15658 (2017)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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G. Stirnemann and D. Laage, Communication: On the Origin of the Non-Arrhenius Behavior in Water Reorientation Dynamics, J. Chem. Phys. 137, 031101 (2012)
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D. Laage, G. Stirnemann and J. T. Hynes, Water Jump Reorientation and Ultrafast Vibrational Spectroscopy , J. Photochem. Photobiol. A 234, 75-82 (2012)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)