The key event in force-induced unfolding of Titin's immunoglobulin domains.

[1]  K. Schulten,et al.  Dynamics of reactions involving diffusive barrier crossing , 1981 .

[2]  W. L. Jorgensen,et al.  Comparison of simple potential functions for simulating liquid water , 1983 .

[3]  Axel T. Brunger,et al.  X-PLOR Version 3.1: A System for X-ray Crystallography and NMR , 1992 .

[4]  K. Wang,et al.  Viscoelasticity of the sarcomere matrix of skeletal muscles. The titin-myosin composite filament is a dual-stage molecular spring. , 1993, Biophysical journal.

[5]  H. Erickson,et al.  Reversible unfolding of fibronectin type III and immunoglobulin domains provides the structural basis for stretch and elasticity of titin and fibronectin. , 1994, Proceedings of the National Academy of Sciences of the United States of America.

[6]  Siegfried Labeit,et al.  Titins: Giant Proteins in Charge of Muscle Ultrastructure and Elasticity , 1995, Science.

[7]  P. Tavan,et al.  Ligand Binding: Molecular Mechanics Calculation of the Streptavidin-Biotin Rupture Force , 1996, Science.

[8]  K Schulten,et al.  VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.

[9]  Elastic properties of single titin molecules made visible through fluorescent F-actin binding. , 1996, Biochemical and biophysical research communications.

[10]  H. Granzier,et al.  Nonuniform elasticity of titin in cardiac myocytes: a study using immunoelectron microscopy and cellular mechanics. , 1996, Biophysical journal.

[11]  Laxmikant V. Kalé,et al.  NAMD: a Parallel, Object-Oriented Molecular Dynamics Program , 1996, Int. J. High Perform. Comput. Appl..

[12]  M. Ikura,et al.  Structural basis of calcium-induced E-cadherin rigidification and dimerization , 1996, Nature.

[13]  J. Wolff,et al.  cDNA sequence of rabbit cardiac titin/connectin. , 1996, Advances in biophysics.

[14]  K. Schulten,et al.  Binding pathway of retinal to bacterio-opsin: a prediction by molecular dynamics simulations. , 1997, Biophysical journal.

[15]  M. Rief,et al.  Reversible unfolding of individual titin immunoglobulin domains by AFM. , 1997, Science.

[16]  W. Linke,et al.  The Giant Protein Titin: Emerging Roles in Physiology and Pathophysiology , 1997 .

[17]  K. Maruyama,et al.  Connectin/titin, giant elastic protein of muscle , 1997, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

[18]  R. M. Simmons,et al.  Elasticity and unfolding of single molecules of the giant muscle protein titin , 1997, Nature.

[19]  S. Smith,et al.  Folding-unfolding transitions in single titin molecules characterized with laser tweezers. , 1997, Science.

[20]  K. Schulten,et al.  Molecular dynamics study of unbinding of the avidin-biotin complex. , 1997, Biophysical journal.

[21]  Andres F. Oberhauser,et al.  The molecular elasticity of the extracellular matrix protein tenascin , 1998, Nature.

[22]  C. Sunkel,et al.  Human Autoantibodies Reveal Titin as a Chromosomal Protein , 1998, The Journal of cell biology.

[23]  K. Schulten,et al.  Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation. , 1998, Biophysical journal.

[24]  Alexander D. MacKerell,et al.  All-atom empirical potential for molecular modeling and dynamics studies of proteins. , 1998, The journal of physical chemistry. B.

[25]  M. Rief,et al.  The mechanical stability of immunoglobulin and fibronectin III domains in the muscle protein titin measured by atomic force microscopy. , 1998, Biophysical journal.

[26]  K. Schulten,et al.  Steered molecular dynamics simulations of force‐induced protein domain unfolding , 1999, Proteins.

[27]  J. Clarke,et al.  Mechanical and chemical unfolding of a single protein: a comparison. , 1999, Proceedings of the National Academy of Sciences of the United States of America.

[28]  Klaus Schulten,et al.  Steered Molecular Dynamics , 1999, Computational Molecular Dynamics.

[29]  K Schulten,et al.  Forced unfolding of the fibronectin type III module reveals a tensile molecular recognition switch. , 1999, Proceedings of the National Academy of Sciences of the United States of America.

[30]  E. Cota,et al.  Folding studies of immunoglobulin-like beta-sandwich proteins suggest that they share a common folding pathway. , 1999, Structure.

[31]  K. Schulten,et al.  Reconstructing Potentials of Mean Force through Time Series Analysis of Steered Molecular Dynamics Simulations , 1999 .

[32]  K Schulten,et al.  Investigating a back door mechanism of actin phosphate release by steered molecular dynamics , 1999, Proteins.

[33]  Stretching lattice models of protein folding. , 1999, Proceedings of the National Academy of Sciences of the United States of America.

[34]  E. Evans,et al.  Strength of a weak bond connecting flexible polymer chains. , 1999, Biophysical journal.

[35]  A. Oberhauser,et al.  Atomic force microscopy captures length phenotypes in single proteins. , 1999, Proceedings of the National Academy of Sciences of the United States of America.

[36]  K. Schulten,et al.  Unbinding of retinoic acid from its receptor studied by steered molecular dynamics. , 1999, Biophysical journal.

[37]  T Centner,et al.  Mechanically driven contour-length adjustment in rat cardiac titin's unique N2B sequence: titin is an adjustable spring. , 1999, Circulation research.

[38]  Klaus Schulten,et al.  Steered molecular dynamics simulation of conformational changes of immunoglobulin domain I27 interprete atomic force microscopy observations , 1999 .

[39]  R. Lavery,et al.  Unraveling proteins: a molecular mechanics study. , 1999, Biophysical journal.

[40]  Klaus Schulten,et al.  Mechanical unfolding intermediates in titin modules , 1999, Nature.

[41]  M. Rief,et al.  Single molecule force spectroscopy of spectrin repeats: low unfolding forces in helix bundles. , 1999, Journal of molecular biology.

[42]  M Karplus,et al.  Forced unfolding of fibronectin type 3 modules: an analysis by biased molecular dynamics simulations. , 1999, Journal of molecular biology.

[43]  Vijay S. Pande,et al.  Mechanical Unfolding of a β-Hairpin Using Molecular Dynamics , 2000 .

[44]  I R Vetter,et al.  Solid-state synthesis and mechanical unfolding of polymers of T4 lysozyme. , 2000, Proceedings of the National Academy of Sciences of the United States of America.

[45]  V S Pande,et al.  Mechanical unfolding of a beta-hairpin using molecular dynamics. , 2000, Biophysical journal.