POLY-DL-ALANINE
POLY-DL-ALANINE structure
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Common Name | POLY-DL-ALANINE | ||
|---|---|---|---|---|
| CAS Number | 25281-63-4 | Molecular Weight | 89.09320 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C3H7NO2 | Melting Point | N/A | |
| MSDS | USA | Flash Point | N/A | |
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Enzyme-degradable self-assembled hydrogels from polyalanine-modified poly(ethylene glycol) star polymers.
Macromol. Rapid Commun. 34(3) , 257-62, (2013) The generation of a range of star-shaped block copolymers composed of a biocompatible poly(ethylene glycol) (PEG) core tethered to a polyalanine (PAla) shell that possesses the capability to (reversibly) self-assemble in water is described. The hydrogels form... |
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Exploring the energy landscapes of protein folding simulations with Bayesian computation.
Biophys. J. 102(4) , 878-86, (2012) Nested sampling is a Bayesian sampling technique developed to explore probability distributions localized in an exponentially small area of the parameter space. The algorithm provides both posterior samples and an estimate of the evidence (marginal likelihood... |
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Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivatives.
J. Chem. Phys. 137(4) , 044109, (2012) We compare the energetic and structural properties of fully optimized α-helical and antiparallel β-sheet polyalanines and the energetic differences between axial and equatorial conformations of three cyclohexane derivatives (methyl, fluoro, and chloro) as cal... |
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Simulated IR, isotropic and anisotropic Raman, and vibrational circular dichroism amide I band profiles of stacked β-sheets.
J. Phys. Chem. B 116(14) , 4141-53, (2012) The amide I mode is a highly structure sensitive vibration of polypeptides that gives rise to a very strong band in IR absorption and a moderate band in Raman spectra. Many theoretical simulations of IR-band profiles have been undertaken thus far in order to ... |
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Effects of external electromagnetic fields on the conformational sampling of a short alanine peptide.
J. Comput. Chem. 33(9) , 917-23, (2012) Non-equilibrium molecular dynamics simulations of a solvated 21-residue polyalanine (A21) peptide, featuring a high propensity for helix formation, have been performed at 300 K and 1 bar in the presence of external electromagnetic (e/m) fields in the microwav... |
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Depletion of cognate charged transfer RNA causes translational frameshifting within the expanded CAG stretch in huntingtin.
Cell Rep. 3(1) , 148-59, (2013) Huntington disease (HD), a dominantly inherited neurodegenerative disorder caused by the expansion of a CAG-encoded polyglutamine (polyQ) repeat in huntingtin (Htt), displays a highly heterogeneous etiopathology and disease onset. Here, we show that the trans... |
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Stochastic simulation of structural properties of natively unfolded and denatured proteins.
J. Mol. Model. 18(9) , 4503-16, (2012) A new simulation strategy based on a stochastic process has been developed and tested to study the structural properties of the unfolded state of proteins at the atomistic level. The procedure combines a generation algorithm to produce representative uncorrel... |
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Transcriptional dysregulation and impairment of PHOX2B auto-regulatory mechanism induced by polyalanine expansion mutations associated with congenital central hypoventilation syndrome.
Neurobiol. Dis. 50 , 187-200, (2013) The PHOX2B transcription factor plays a crucial role in autonomic nervous system development. In humans, heterozygous mutations of the PHOX2B gene lead to congenital central hypoventilation syndrome (CCHS), a rare disorder characterized by a broad variety of ... |
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The folding of acetyl(Ala)28NH2 and acetyl(Ala)40NH2 extended strand peptides into antiparallel β-sheets. A density functional theory study of β-sheets with β-turns.
J. Phys. Chem. B 116(48) , 14017-22, (2012) We report ONIOM calculations using B3LYP/D95** and AM1 on β-sheet formation from acetyl(Ala)(N)NH(2) (N = 28 or 40). The sheets contain from one to four β-turns for N = 28 and up to six for N = 40. We have obtained four types of geometrically optimized struct... |
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The utility of comparative models and the local model quality for protein crystal structure determination by Molecular Replacement.
BMC Bioinformatics 13 , 289, (2012) Computational models of protein structures were proved to be useful as search models in Molecular Replacement (MR), a common method to solve the phase problem faced by macromolecular crystallography. The success of MR depends on the accuracy of a search model... |