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Dynamic bond constraints in protein Langevin dynamics

The Journal of Chemical Physics, 2006
Bond constraint algorithms for molecular dynamics typically take, as the target constraint lengths, the values of the equilibrium bond lengths defined in the potential. In Langevin form, the equations of motion are temperature dependent, which gives the average value for the individual bond lengths a temperature dependence. In addition to this, locally
J, Franklin, S, Doniach
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Dynamically Tunable Protein Microlenses

Angewandte Chemie International Edition, 2011
Proteins have been utilized in numerous photonic and optoelectronic devices, for example, in optical computation, organic light emitting diodes (OLEDs), waveguides, biomicro/nanolasers, organic field effect transistors (OFETs), and memory devices, because their unique optical, mechanical, electrical, and chemical properties are easily tailored to each ...
Yun-Lu, Sun   +6 more
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Dynamics of folded proteins

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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Dynamic personalities of proteins

Nature, 2007
Because 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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Dynamic proteins in bacteria

Current Opinion in Microbiology, 2002
Growth of the bacterial cell involves proteins that assemble into dynamic localized structures that are required for cellular morphogenesis and division. During the past year, the continued application of fluorescence microscopy has led to the discovery of novel actin-like filaments involved in cell shape and plasmid DNA segregation, and to new ...
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Protein Dynamism and Evolvability

Science, 2009
The 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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Protein dynamics of amelogenesis

The Anatomical Record, 1996
The synthesis, secretion, and fate of matrix proteins released by ameloblasts during enamel formation was studied in continuously erupting rat incisors.Computerized image processing was used to quantify silver grain distribution in radioautographs of sections prepared from rats injected with 3H-methionine, and this was correlated with fluorographs ...
C E, Smith, A, Nanci
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Chaos in protein dynamics

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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Capturing dynamic protein interactions

Science, 2018
A method based on heat denaturation reveals how proteins interact in different ...
Xiao-Han, Li   +2 more
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Druggability of Dynamic Protein-protein Interfaces

Current Pharmaceutical Design, 2012
The conformational flexibility of protein targets is being increasingly recognized in the drug discovery and design processes. When working on a particular disease-related biochemical pathway, it is of crucial importance to carefully select druggable protein binding pockets among all those cavities that may appear transiently or permanently on the ...
Ozlem, Ulucan   +2 more
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