Results 261 to 270 of about 827,705 (313)
Emerging approaches to investigating functional protein dynamics in modular redox enzymes: Nitric oxide synthase as a model system. [PDF]
J Biol ChemJiang T, Thielges MC, Feng C.
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Single-Molecule Imaging of Integral Membrane Protein Dynamics and Function. [PDF]
Annu Rev BiophysModak A +5 more
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Applications of Molecular Dynamics Simulation in Protein Study [PDF]
Membranes, 2022 Molecular Dynamics (MD) Simulations is increasingly used as a powerful tool to study protein structure-related questions. Starting from the early simulation study on the photoisomerization in rhodopsin in 1976, MD Simulations has been used to study ...
San Ming Wang +2 more
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Berichte der Bunsengesellschaft für physikalische Chemie, 1982
Theoretical methods for studying protein motions have been outlined and some examples have been given. Simulation methods have shown that structural fluctuations in proteins cover a wide range in their magnitudes and time scales. Some indication of their biological role has been given, but the most important and interesting applications to protein ...
P G Debrunner, H Frauenfelder
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Theoretical methods for studying protein motions have been outlined and some examples have been given. Simulation methods have shown that structural fluctuations in proteins cover a wide range in their magnitudes and time scales. Some indication of their biological role has been given, but the most important and interesting applications to protein ...
P G Debrunner, H Frauenfelder
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Essential dynamics of proteins
Proteins: Structure, Function, and Bioinformatics, 1993AbstractAnalysis of extended molecular dynamics (MD) simulations of lysozyme in vacuo and in aqueous solution reveals that it is possible to separate the configurational space into two subspaces: (1) an “essential” subspace containing only a few degrees of freedom in which anharmonic motion occurs that comprises most of the positional fluctuations; and
AMADEI, A, LINSSEN, ABM, BERENDSEN, HJC
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Protein Dynamism and Evolvability
Science, 2009The traditional view that proteins possess absolute functional specificity and a single, fixed structure conflicts with their marked ability to adapt and evolve new functions and structures. We consider an alternative, “avant-garde view” in which proteins are conformationally dynamic and exhibit functional promiscuity.
Nobuhiko, Tokuriki, Dan S, Tawfik
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Proteins: Structure, Function, and Genetics, 1997
MD simulations, currently the most detailed description of the dynamic evolution of proteins, are based on the repeated solution of a set of differential equations implementing Newton's second law. Many such systems are known to exhibit chaotic behavior, i.e., very small changes in initial conditions are amplified exponentially and lead to vastly ...
M, Braxenthaler +4 more
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MD simulations, currently the most detailed description of the dynamic evolution of proteins, are based on the repeated solution of a set of differential equations implementing Newton's second law. Many such systems are known to exhibit chaotic behavior, i.e., very small changes in initial conditions are amplified exponentially and lead to vastly ...
M, Braxenthaler +4 more
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Nature, 1976
In a discussion of the dynamics of protein folding two limiting models (random-search nucleation and chain propagation., diffusion–collision) are considered. It is suggested that the latter may have the dominant role in many proteins.
M, Karplus, D L, Weaver
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In a discussion of the dynamics of protein folding two limiting models (random-search nucleation and chain propagation., diffusion–collision) are considered. It is suggested that the latter may have the dominant role in many proteins.
M, Karplus, D L, Weaver
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Dynamic personalities of proteins
Nature, 2007Because proteins are central to cellular function, researchers have sought to uncover the secrets of how these complex macromolecules execute such a fascinating variety of functions. Although static structures are known for many proteins, the functions of proteins are governed ultimately by their dynamic character (or 'personality').
Katherine, Henzler-Wildman +1 more
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Nature, 1977
The dynamics of a folded globular protein (bovine pancreatic trypsin inhibitor) have been studied by solving the equations of motion for the atoms with an empirical potential energy function. The results provide the magnitude, correlations and decay of fluctuations about the average structure.
J A, McCammon, B R, Gelin, M, Karplus
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The dynamics of a folded globular protein (bovine pancreatic trypsin inhibitor) have been studied by solving the equations of motion for the atoms with an empirical potential energy function. The results provide the magnitude, correlations and decay of fluctuations about the average structure.
J A, McCammon, B R, Gelin, M, Karplus
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