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Items: 33

1.

Forcing the reversibility of a mechanochemical reaction.

Beedle AEM, Mora M, Davis CT, Snijders AP, Stirnemann G, Garcia-Manyes S.

Nat Commun. 2018 Aug 8;9(1):3155. doi: 10.1038/s41467-018-05115-6.

2.

Segmentation and the Entropic Elasticity of Modular Proteins.

Berkovich R, Fernandez VI, Stirnemann G, Valle-Orero J, Fernández JM.

J Phys Chem Lett. 2018 Aug 6:4707-4713. doi: 10.1021/acs.jpclett.8b01925. [Epub ahead of print]

PMID:
30058807
3.

The major β-catenin/E-cadherin junctional binding site is a primary molecular mechano-transductor of differentiation in vivo.

Röper JC, Mitrossilis D, Stirnemann G, Waharte F, Brito I, Fernandez-Sanchez ME, Baaden M, Salamero J, Farge E.

Elife. 2018 Jul 19;7. pii: e33381. doi: 10.7554/eLife.33381.

4.

DNA Binding Induces a Nanomechanical Switch in the RRM1 Domain of TDP-43.

Wang YJ, Rico-Lastres P, Lezamiz A, Mora M, Solsona C, Stirnemann G, Garcia-Manyes S.

J Phys Chem Lett. 2018 Jul 19;9(14):3800-3807. doi: 10.1021/acs.jpclett.8b01494. Epub 2018 Jun 28.

PMID:
29924934
5.

Water dynamics in concentrated electrolytes: Local ion effect on hydrogen-bond jumps rather than collective coupling to ion clusters.

Stirnemann G, Jungwirth P, Laage D.

Proc Natl Acad Sci U S A. 2018 May 29;115(22):E4953-E4954. doi: 10.1073/pnas.1803988115. Epub 2018 May 10. No abstract available.

PMID:
29748429
6.

The force-dependent mechanism of DnaK-mediated mechanical folding.

Perales-Calvo J, Giganti D, Stirnemann G, Garcia-Manyes S.

Sci Adv. 2018 Feb 9;4(2):eaaq0243. doi: 10.1126/sciadv.aaq0243. eCollection 2018 Feb.

7.

Ab Initio Simulations of Water Dynamics in Aqueous TMAO Solutions: Temperature and Concentration Effects.

Stirnemann G, Duboué-Dijon E, Laage D.

J Phys Chem B. 2017 Dec 14;121(49):11189-11197. doi: 10.1021/acs.jpcb.7b09989. Epub 2017 Dec 4.

PMID:
29200289
8.

Mechanics of Protein Adaptation to High Temperatures.

Stirnemann G, Sterpone F.

J Phys Chem Lett. 2017 Dec 7;8(23):5884-5890. doi: 10.1021/acs.jpclett.7b02611. Epub 2017 Nov 20.

PMID:
29155591
9.

Critical structural fluctuations of proteins upon thermal unfolding challenge the Lindemann criterion.

Katava M, Stirnemann G, Zanatta M, Capaccioli S, Pachetti M, Ngai KL, Sterpone F, Paciaroni A.

Proc Natl Acad Sci U S A. 2017 Aug 29;114(35):9361-9366. doi: 10.1073/pnas.1707357114. Epub 2017 Aug 14.

10.

Tailoring protein nanomechanics with chemical reactivity.

Beedle AEM, Mora M, Lynham S, Stirnemann G, Garcia-Manyes S.

Nat Commun. 2017 Jun 6;8:15658. doi: 10.1038/ncomms15658.

11.

Orientational Dynamics of Water at an Extended Hydrophobic Interface.

Xiao S, Figge F, Stirnemann G, Laage D, McGuire JA.

J Am Chem Soc. 2016 May 4;138(17):5551-60. doi: 10.1021/jacs.6b01820. Epub 2016 Apr 20.

PMID:
27045950
12.

Stability and Function at High Temperature. What Makes a Thermophilic GTPase Different from Its Mesophilic Homologue.

Katava M, Kalimeri M, Stirnemann G, Sterpone F.

J Phys Chem B. 2016 Mar 17;120(10):2721-30. doi: 10.1021/acs.jpcb.6b00306. Epub 2016 Mar 8.

PMID:
26907829
13.

Recovering Protein Thermal Stability Using All-Atom Hamiltonian Replica-Exchange Simulations in Explicit Solvent.

Stirnemann G, Sterpone F.

J Chem Theory Comput. 2015 Dec 8;11(12):5573-7. doi: 10.1021/acs.jctc.5b00954. Epub 2015 Nov 13.

PMID:
26642979
14.

The mechanochemistry of copper reports on the directionality of unfolding in model cupredoxin proteins.

Beedle AE, Lezamiz A, Stirnemann G, Garcia-Manyes S.

Nat Commun. 2015 Aug 3;6:7894. doi: 10.1038/ncomms8894.

15.

How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory.

Mondal J, Halverson D, Li IT, Stirnemann G, Walker GC, Berne BJ.

Proc Natl Acad Sci U S A. 2015 Jul 28;112(30):9270-5. doi: 10.1073/pnas.1511780112. Epub 2015 Jul 13.

16.

The elastic free energy of a tandem modular protein under force.

Valle-Orero J, Eckels EC, Stirnemann G, Popa I, Berkovich R, Fernandez JM.

Biochem Biophys Res Commun. 2015 May 1;460(2):434-8. doi: 10.1016/j.bbrc.2015.03.051. Epub 2015 Mar 18.

17.

How force unfolding differs from chemical denaturation.

Stirnemann G, Kang SG, Zhou R, Berne BJ.

Proc Natl Acad Sci U S A. 2014 Mar 4;111(9):3413-8. doi: 10.1073/pnas.1400752111. Epub 2014 Feb 18.

18.

Mechanisms of acceleration and retardation of water dynamics by ions.

Stirnemann G, Wernersson E, Jungwirth P, Laage D.

J Am Chem Soc. 2013 Aug 14;135(32):11824-31. doi: 10.1021/ja405201s. Epub 2013 Aug 2.

19.

When does trimethylamine N-oxide fold a polymer chain and urea unfold it?

Mondal J, Stirnemann G, Berne BJ.

J Phys Chem B. 2013 Jul 25;117(29):8723-32. doi: 10.1021/jp405609j. Epub 2013 Jul 10.

20.

Elasticity, structure, and relaxation of extended proteins under force.

Stirnemann G, Giganti D, Fernandez JM, Berne BJ.

Proc Natl Acad Sci U S A. 2013 Mar 5;110(10):3847-52. doi: 10.1073/pnas.1300596110. Epub 2013 Feb 13.

21.

Rate limit of protein elastic response is tether dependent.

Berkovich R, Hermans RI, Popa I, Stirnemann G, Garcia-Manyes S, Berne BJ, Fernandez JM.

Proc Natl Acad Sci U S A. 2012 Sep 4;109(36):14416-21. doi: 10.1073/pnas.1212167109. Epub 2012 Aug 15.

22.

Communication: On the origin of the non-Arrhenius behavior in water reorientation dynamics.

Stirnemann G, Laage D.

J Chem Phys. 2012 Jul 21;137(3):031101. doi: 10.1063/1.4737390.

PMID:
22830675
23.

Magnitude and molecular origin of water slowdown next to a protein.

Sterpone F, Stirnemann G, Laage D.

J Am Chem Soc. 2012 Mar 7;134(9):4116-9. doi: 10.1021/ja3007897. Epub 2012 Feb 22.

PMID:
22335572
24.

On the reorientation and hydrogen-bond dynamics of alcohols.

Vartia AA, Mitchell-Koch KR, Stirnemann G, Laage D, Thompson WH.

J Phys Chem B. 2011 Oct 27;115(42):12173-8. doi: 10.1021/jp206875k. Epub 2011 Oct 5.

PMID:
21916487
25.

Water reorientation dynamics in the first hydration shells of F- and I-.

Boisson J, Stirnemann G, Laage D, Hynes JT.

Phys Chem Chem Phys. 2011 Nov 28;13(44):19895-901. doi: 10.1039/c1cp21834d. Epub 2011 Sep 13.

PMID:
21915404
26.

Non-monotonic dependence of water reorientation dynamics on surface hydrophilicity: competing effects of the hydration structure and hydrogen-bond strength.

Stirnemann G, Castrillón SR, Hynes JT, Rossky PJ, Debenedetti PG, Laage D.

Phys Chem Chem Phys. 2011 Nov 28;13(44):19911-7. doi: 10.1039/c1cp21916b. Epub 2011 Sep 6.

PMID:
21897944
27.

Water jump reorientation: from theoretical prediction to experimental observation.

Laage D, Stirnemann G, Sterpone F, Hynes JT.

Acc Chem Res. 2012 Jan 17;45(1):53-62. doi: 10.1021/ar200075u. Epub 2011 Jul 13.

PMID:
21749157
28.

Dynamics of water in concentrated solutions of amphiphiles: key roles of local structure and aggregation.

Stirnemann G, Sterpone F, Laage D.

J Phys Chem B. 2011 Mar 31;115(12):3254-62. doi: 10.1021/jp112001d. Epub 2011 Mar 8.

PMID:
21384808
29.

Reorientation and allied dynamics in water and aqueous solutions.

Laage D, Stirnemann G, Sterpone F, Rey R, Hynes JT.

Annu Rev Phys Chem. 2011;62:395-416. doi: 10.1146/annurev.physchem.012809.103503.

PMID:
21219140
30.

Water reorientation, hydrogen-bond dynamics and 2D-IR spectroscopy next to an extended hydrophobic surface.

Stirnemann G, Rossky PJ, Hynes JT, Laage D.

Faraday Discuss. 2010;146:263-81; discussion 283-98, 395-401.

PMID:
21043427
31.

Water hydrogen bond dynamics in aqueous solutions of amphiphiles.

Stirnemann G, Hynes JT, Laage D.

J Phys Chem B. 2010 Mar 4;114(8):3052-9. doi: 10.1021/jp9116886.

PMID:
20141150
32.

Water hydrogen-bond dynamics around amino acids: the key role of hydrophilic hydrogen-bond acceptor groups.

Sterpone F, Stirnemann G, Hynes JT, Laage D.

J Phys Chem B. 2010 Feb 11;114(5):2083-9. doi: 10.1021/jp9119793.

PMID:
20085364
33.

Why water reorientation slows without iceberg formation around hydrophobic solutes.

Laage D, Stirnemann G, Hynes JT.

J Phys Chem B. 2009 Feb 26;113(8):2428-35. doi: 10.1021/jp809521t.

PMID:
19193030

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