The Janus-faced role of external forces in mechanochemical disulfide bond cleavage.
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D. Marx | J. Ribas-Ariño | J. Kiss | P. Dopieralski | M. Krupička | P. Anjukandi | Przemysław Dopieralski | J. Ribas‐Ariño
[1] CPMD simulation of a bimolecular chemical reaction: nucleophilic attack of a disulfide bond under mechanical stress. , 2012, Chemistry.
[2] D. Marx,et al. Covalent Mechanochemistry: Theoretical Concepts and Computational Tools with Applications to Molecular Nanomechanics , 2012 .
[3] R. Boulatov,et al. Quantum-chemical validation of the local assumption of chemomechanics for a unimolecular reaction. , 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.
[4] F. Gräter,et al. Mechanical force can fine-tune redox potentials of disulfide bonds. , 2012, Biophysical journal.
[5] N. Mosey,et al. Prediction of reaction barriers and force-induced instabilities under mechanochemical conditions with an approximate model: a case study of the ring opening of 1,3-cyclohexadiene. , 2012, The Journal of chemical physics.
[6] A. V. van Duin,et al. Tunable nanomechanics of protein disulfide bonds in redox microenvironments. , 2012, Journal of the mechanical behavior of biomedical materials.
[7] P. Kosuri,et al. Direct observation of disulfide isomerization in a single protein , 2011, Nature chemistry.
[8] D. Marx,et al. Force-transformed free-energy surfaces and trajectory-shooting simulations reveal the mechano-stereochemistry of cyclopropane ring-opening reactions. , 2011, Angewandte Chemie.
[9] D. Marx,et al. On the role of polymer chains in transducing external mechanical forces to benzocyclobutene mechanophores , 2011 .
[10] R. Boulatov,et al. Chemomechanics: chemical kinetics for multiscale phenomena. , 2011, Chemical Society reviews.
[11] T. Helgaker,et al. Influence of external force on properties and reactivity of disulfide bonds. , 2011, The journal of physical chemistry. A.
[12] Julio M. Fernandez,et al. Kinetic measurements on single-molecule disulfide bond cleavage. , 2011, Journal of the American Chemical Society.
[13] S. Garcia-Manyes,et al. Contrasting the individual reactive pathways in protein unfolding and disulfide bond reduction observed within a single protein. , 2011, Journal of the American Chemical Society.
[14] Jeremy M. Lenhardt,et al. From molecular mechanochemistry to stress-responsive materials , 2011 .
[15] F. Gräter,et al. Atomistic evidence of how force dynamically regulates thiol/disulfide exchange. , 2010, Journal of the American Chemical Society.
[16] D. Marx,et al. Mechanochemical transduction of externally applied forces to mechanophores. , 2010, Journal of the American Chemical Society.
[17] Hui Lu,et al. Probing static disorder in Arrhenius kinetics by single-molecule force spectroscopy , 2010, Proceedings of the National Academy of Sciences.
[18] I. Frank,et al. Disulfide bond cleavage: a redox reaction without electron transfer. , 2010, Chemistry.
[19] Amalendu Chandra,et al. Aqueous basic solutions: hydroxide solvation, structural diffusion, and comparison to the hydrated proton. , 2010, Chemical reviews.
[20] G. Whitesides,et al. Thiol—disulfide interchange , 2010 .
[21] M. A. Wouters,et al. Disulfides as redox switches: from molecular mechanisms to functional significance. , 2010, Antioxidants & redox signaling.
[22] Mary M. Caruso,et al. Mechanically-induced chemical changes in polymeric materials. , 2009, Chemical reviews.
[23] R. Boulatov,et al. Kinetics of thiol/disulfide exchange correlate weakly with the restoring force in the disulfide moiety. , 2009, Angewandte Chemie.
[24] Julio M. Fernandez,et al. Mechanochemistry: one bond at a time. , 2009, ACS nano.
[25] Y. Pereverzev,et al. Theoretical aspects of the biological catch bond. , 2009, Accounts of chemical research.
[26] R. Szoszkiewicz,et al. Force-activated reactivity switch in a bimolecular chemical reaction. , 2009, Nature chemistry.
[27] D. Marx,et al. Understanding covalent mechanochemistry. , 2009, Angewandte Chemie.
[28] Jürg Hutter,et al. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods , 2009 .
[29] Sri Rama Koti Ainavarapu,et al. Single-molecule force spectroscopy measurements of bond elongation during a bimolecular reaction. , 2008, Journal of the American Chemical Society.
[30] C. Thorpe,et al. Mechanism of thiolate-disulfide interchange reactions in biochemistry. , 2008, The Journal of organic chemistry.
[31] Frauke Gräter,et al. Probing the chemistry of thioredoxin catalysis with force , 2007, Nature.
[32] C. Thorpe,et al. Mechanism of SN2 disulfide bond cleavage by phosphorus nucleophiles. Implications for biochemical disulfide reducing agents. , 2007, Journal of Organic Chemistry.
[33] R. A. George,et al. Evaluating the stability of disulfide bridges in proteins: a torsional potential energy surface for diethyl disulfide , 2007, Molecular simulation.
[34] Nancy R. Sottos,et al. Biasing reaction pathways with mechanical force , 2007, Nature.
[35] H. Versteeg,et al. Disulfide isomerization switches tissue factor from coagulation to cell signaling , 2006, Proceedings of the National Academy of Sciences.
[36] Hector H. Huang,et al. Force-dependent chemical kinetics of disulfide bond reduction observed with single-molecule techniques. , 2006, Proceedings of the National Academy of Sciences of the United States of America.
[37] H. Clausen‐Schaumann,et al. Mechanochemistry: the mechanical activation of covalent bonds. , 2005, Chemical reviews.
[38] P. Fernandes,et al. Theoretical insights into the mechanism for thiol/disulfide exchange. , 2004, Chemistry.
[39] S. Bachrach,et al. Effect of Micro and Bulk Solvation on the Mechanism of Nucleophilic Substitution at Sulfur in Disulfides , 2003 .
[40] Alessandro Laio,et al. Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics. , 2003, Physical review letters.
[41] Cheng Zhu,et al. Direct observation of catch bonds involving cell-adhesion molecules , 2003, Nature.
[42] A. Laio,et al. Escaping free-energy minima , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[43] P. Li,et al. Disulfide exchange in domain 2 of CD4 is required for entry of HIV-1 , 2002, Nature Immunology.
[44] Michiel Sprik,et al. Free energy from constrained molecular dynamics , 1998 .
[45] Steven M. Bachrach,et al. Nucleophilic Substitution at Sulfur: S N 2 or Addition-Elimination? , 1996 .
[46] G. Ciccotti,et al. Constrained reaction coordinate dynamics for the simulation of rare events , 1989 .
[47] J. Pappas. Theoretical studies of the reactions of the sulfur-sulfur bond. 1. General heterolytic mechanisms , 1977 .