Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution.
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[1] L. Verlet. Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules , 1967 .
[2] C. Anfinsen. Principles that govern the folding of protein chains. , 1973, Science.
[3] G J Williams,et al. The Protein Data Bank: a computer-based archival file for macromolecular structures. , 1977, Journal of molecular biology.
[4] G. Ciccotti,et al. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes , 1977 .
[5] W. L. Jorgensen,et al. Comparison of simple potential functions for simulating liquid water , 1983 .
[6] A. D. McLachlan,et al. Solvation energy in protein folding and binding , 1986, Nature.
[7] A. Kolinski,et al. Simulations of the Folding of a Globular Protein , 1990, Science.
[8] M Levitt,et al. A model of the molten globule state from molecular dynamics simulations. , 1992, Proceedings of the National Academy of Sciences of the United States of America.
[9] P. Kollman,et al. Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models , 1992 .
[10] R. Swendsen,et al. THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method , 1992 .
[11] C. Brooks,et al. Constant-temperature free energy surfaces for physical and chemical processes , 1993 .
[12] W. L. Jorgensen,et al. Molecular dynamics simulations of the unfolding of apomyoglobin in water. , 1993, Biochemistry.
[13] C. Brooks,et al. Statistical clustering techniques for the analysis of long molecular dynamics trajectories: analysis of 2.2-ns trajectories of YPGDV. , 1993, Biochemistry.
[14] M. Karplus,et al. How does a protein fold? , 1994, Nature.
[15] Michael Levitt,et al. Protein folding↔unfolding dynamics , 1994 .
[16] C. Brooks,et al. First-principles calculation of the folding free energy of a three-helix bundle protein. , 1995, Science.
[17] P. Kollman,et al. Molecular Dynamics Simulations on Solvated Biomolecular Systems: The Particle Mesh Ewald Method Leads to Stable Trajectories of DNA, RNA, and Proteins , 1995 .
[18] O. Ptitsyn. Structures of folding intermediates. , 1995, Current opinion in structural biology.
[19] T. Darden,et al. A smooth particle mesh Ewald method , 1995 .
[20] K Wüthrich,et al. Exploring the role of the solvent in the denaturation of a protein: a molecular dynamics study of the DNA binding domain of the 434 repressor. , 1995, Biochemistry.
[21] D. Yee,et al. Principles of protein folding — A perspective from simple exact models , 1995, Protein science : a publication of the Protein Society.
[22] A. Li,et al. Investigation of the solution structure of chymotrypsin inhibitor 2 using molecular dynamics: comparison to x-ray crystallographic and NMR data. , 1995, Protein engineering.
[23] V. Daggett,et al. Molecular dynamics simulations of protein unfolding and limited refolding: characterization of partially unfolded states of ubiquitin in 60% methanol and in water. , 1995, Journal of molecular biology.
[24] P. Kollman,et al. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules , 1995 .
[25] Richard N. Sifers,et al. Defective protein folding as a cause of disease , 1995, Nature Structural Biology.
[26] M. Gruebele,et al. Direct observation of fast protein folding: the initial collapse of apomyoglobin. , 1996, Proceedings of the National Academy of Sciences of the United States of America.
[27] J. Hofrichter,et al. Diffusion-limited contact formation in unfolded cytochrome c: estimating the maximum rate of protein folding. , 1996, Proceedings of the National Academy of Sciences of the United States of America.
[28] P. Kollman,et al. The application of different solvation and electrostatic models in molecular dynamics simulations of ubiquitin: How well is the x‐ray structure “maintained”? , 1996, Proteins.
[29] R. Dyer,et al. Fast events in protein folding: helix melting and formation in a small peptide. , 1996, Biochemistry.
[30] P S Kim,et al. A thermostable 35-residue subdomain within villin headpiece. , 1996, Journal of molecular biology.
[31] P. Kollman. Advances and Continuing Challenges in Achieving Realistic and Predictive Simulations of the Properties of Organic and Biological Molecules , 1996 .
[32] M Karplus,et al. "New view" of protein folding reconciled with the old through multiple unfolding simulations. , 1997, Science.
[33] D. Case,et al. Dynamics of a type VI reverse turn in a linear peptide in aqueous solution. , 1997, Folding & design.
[34] S. Prusiner,et al. Prion diseases and the BSE crisis. , 1997, Science.
[35] E. Shakhnovich. Theoretical studies of protein-folding thermodynamics and kinetics. , 1997, Current opinion in structural biology.
[36] R. Dyer,et al. Fast events in protein folding: relaxation dynamics of secondary and tertiary structure in native apomyoglobin. , 1997, Proceedings of the National Academy of Sciences of the United States of America.
[37] V. Muñoz,et al. Submillisecond kinetics of protein folding. , 1997, Current opinion in structural biology.
[38] Paul T. Matsudaira,et al. NMR structure of the 35-residue villin headpiece subdomain , 1997, Nature Structural Biology.
[39] Folding and binding. From theory to therapy. , 1997, Current opinion in structural biology.
[40] K. Dill,et al. From Levinthal to pathways to funnels , 1997, Nature Structural Biology.
[41] Terrence G. Oas,et al. The energy landscape of a fast-folding protein mapped by Ala→Gly Substitutions , 1997, Nature Structural Biology.
[42] L Wang,et al. The early stage of folding of villin headpiece subdomain observed in a 200-nanosecond fully solvated molecular dynamics simulation. , 1998, Proceedings of the National Academy of Sciences of the United States of America.
[43] D. Baker,et al. Contact order, transition state placement and the refolding rates of single domain proteins. , 1998, Journal of molecular biology.
[44] C L Brooks,et al. Calculations on folding of segment B1 of streptococcal protein G. , 1998, Journal of molecular biology.
[45] X. Daura,et al. Reversible peptide folding in solution by molecular dynamics simulation. , 1998, Journal of molecular biology.
[46] Charles L. Brooks,et al. Molecular picture of folding of a small α/β protein , 1998 .