Essential dynamics of reversible peptide folding: memory-free conformational dynamics governed by internal hydrogen bonds.
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[1] Peter J. Rousseeuw,et al. Finding Groups in Data: An Introduction to Cluster Analysis , 1990 .
[2] G Vriend,et al. WHAT IF: a molecular modeling and drug design program. , 1990, Journal of molecular graphics.
[3] P. Kraulis. A program to produce both detailed and schematic plots of protein structures , 1991 .
[4] Ali S. Hadi,et al. Finding Groups in Data: An Introduction to Chster Analysis , 1991 .
[5] García,et al. Large-amplitude nonlinear motions in proteins. , 1992, Physical review letters.
[6] H. Berendsen,et al. Essential dynamics of proteins , 1993, Proteins.
[7] G Vriend,et al. The essential dynamics of thermolysin: Confirmation of the hinge‐bending motion and comparison of simulations in vacuum and water , 1995, Proteins.
[8] Grubmüller,et al. Predicting slow structural transitions in macromolecular systems: Conformational flooding. , 1995, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[9] B M Pettitt,et al. A sampling problem in molecular dynamics simulations of macromolecules. , 1995, Proceedings of the National Academy of Sciences of the United States of America.
[10] N. Go,et al. Harmonicity and anharmonicity in protein dynamics: A normal mode analysis and principal component analysis , 1995, Proteins.
[11] H. Berendsen,et al. Essential dynamics of the cellular retinol-binding protein--evidence for ligand-induced conformational changes. , 1995, Protein engineering.
[12] H J Berendsen,et al. An efficient method for sampling the essential subspace of proteins. , 1996, Journal of biomolecular structure & dynamics.
[13] K. Schulten,et al. Principal Component Analysis and Long Time Protein Dynamics , 1996 .
[14] C. Sander,et al. Positioning hydrogen atoms by optimizing hydrogen‐bond networks in protein structures , 1996, Proteins.
[15] H. Berendsen,et al. An extended sampling of the configurational space of HPr from E. coli , 1996, Proteins.
[16] H. Berendsen,et al. The consistency of large concerted motions in proteins in molecular dynamics simulations. , 1996, Biophysical journal.
[17] J B Findlay,et al. Protein dynamics derived from clusters of crystal structures. , 1997, Biophysical journal.
[18] R M Esnouf,et al. An extensively modified version of MolScript that includes greatly enhanced coloring capabilities. , 1997, Journal of molecular graphics & modelling.
[19] E A Merritt,et al. Raster3D: photorealistic molecular graphics. , 1997, Methods in enzymology.
[20] X. Daura,et al. Studying the Stability of a Helical β‐Heptapeptide by Molecular Dynamics Simulations , 1997 .
[21] A Kitao,et al. Energy landscape of a native protein: Jumping‐among‐minima model , 1998, Proteins.
[22] P. Kollman,et al. Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution. , 1998, Science.
[23] R. Abseher,et al. Essential spaces defined by NMR structure ensembles and molecular dynamics simulation show significant overlap , 1998, Proteins.
[24] H. Berendsen,et al. Domain motions in bacteriophage T4 lysozyme: A comparison between molecular dynamics and crystallographic data , 1998, Proteins.
[25] X. Daura,et al. Reversible peptide folding in solution by molecular dynamics simulation. , 1998, Journal of molecular biology.
[26] V S Pande,et al. Molecular dynamics simulations of unfolding and refolding of a beta-hairpin fragment of protein G. , 1999, Proceedings of the National Academy of Sciences of the United States of America.
[27] H J Berendsen,et al. A kinetic model for the internal motions of proteins: Diffusion between multiple harmonic wells , 1999, Proteins.
[28] Andrea Amadei,et al. A molecular dynamics study of the 41‐56 β‐hairpin from B1 domain of protein G , 1999, Protein science : a publication of the Protein Society.
[29] X. Daura,et al. Peptide Folding: When Simulation Meets Experiment , 1999 .
[30] A. Pohorille,et al. Early events in the folding of an amphipathic peptide: A multinanosecond molecular dynamics study , 1999, Proteins.
[31] A. Amadei,et al. On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations , 1999, Proteins.
[32] X. Daura,et al. Folding–unfolding thermodynamics of a β‐heptapeptide from equilibrium simulations , 1999, Proteins.
[33] X. Daura,et al. Structure and Conformation ofβ-Oligopeptide Derivatives with Simple Proteinogenic Side Chains: Circular Dichroism and Molecular Dynamics Investigations , 2000 .
[34] M Nilges,et al. Efficient sampling in collective coordinate space , 2000, Proteins.
[35] R. Wade,et al. The cisproline(i − 1)-aromatic(i) interaction: Folding of the Ala-cisPro-Tyr peptide characterized by NMR and theoretical approaches , 2000, Journal of biomolecular NMR.
[36] beta-hairpin stability and folding: molecular dynamics studies of the first beta-hairpin of tendamistat. , 2000, Journal of molecular biology.
[37] W. F. Gunsteren,et al. β-Hairpin stability and folding: Molecular dynamics studies of the first β-hairpin of tendamistat , 2000 .
[38] X. Daura,et al. Structure and Conformation of β‐Oligopeptide Derivatives with Simple Proteinogenic Side Chains: Circular Dichroism and Molecular Dynamics Investigations. , 2000 .
[39] V. Daggett,et al. Long timescale simulations. , 2000, Current opinion in structural biology.