Results 11 to 20 of about 897,077 (404)

On the Helix-coil Transition in Alanine-based Polypeptides in Gas Phase [PDF]

J. Chem. Phys., 126 (2007) 204307, 2007
Using multicanonical simulations, the authors study the effect of charged end groups on helix formation in alanine based polypeptides. They confirm earlier reports that neutral polyalanine exhibits a pronounced helix-coil transition in gas phase ...
Hansmann, U. H. E., Nadler, W., Wei, Y.
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Alpha helix-coil phase transition: analysis of ab initio theory predictions [PDF]

, 2007
In the present paper we present results of calculations obtained with the use of the theoretical method described in our preceding paper [1] and perform detail analysis of alpha helix-random coil transition in alanine polypeptides of different length. We
102, A. V. Solov'yov, A. V. Yakubovich, Becke, Chakrabartty, Fenn, Garcia, Gibbs, Go, Gomez, Gullingsrud, Hillenkamp, Humphrey, I. A. Solov'yov, Irbäck, Irbäck, Karas, Karas, Kromhout, Lednev, Lee, Lifson, Lifson, Nowak, Nymeyer, Ooi, Ooi, Phillips, Poland, Prabhu, Schellman, Scholtz, Shakhnovich, Shea, Shental-Bechor, Solov'yov, Solov'yov, Sotomayor, Thompson, Tobias, W. Greiner, Wei, Williams, Wind, Yakubovich, Yakubovich, Yakubovich, Yakubovich, Zimm   +48 more
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Finite-size scaling of helix-coil transitions in poly-alanine studied by multicanonical simulations [PDF]

, 1998
We report results from multicanonical simulations of poly-alanine. Homopolymers of up to 30 amino acids were considered and various thermodynamic quantities as a function of temperature calculated.
Hansmann, U. H. E., Okamoto, Y.
core   +2 more sources

Ab initio study of alanine polypeptide chains twisting [PDF]

, 2005
We have investigated the potential energy surfaces for alanine chains consisting of three and six amino acids. For these molecules we have calculated potential energy surfaces as a function of the Ramachandran angles Phi and Psi, which are widely used ...
A. D. MacKerell, A. Finkelstein, A. Mülberg, A. Rubin, Alexander V. Yakubovich, Andrey V. Solov’yov, D. Voet, Ilia A. Solov’yov, J. B. Foresman, L. Lindgren, R. Schweitzer-Stenner, S. H. Vosko, S. Woutersen, Walter Greiner   +13 more
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Exploring the conformational dynamics of alanine dipeptide in solution subjected to an external electric field: A nonequilibrium molecular dynamics simulation [PDF]

, 2014
In this paper, we investigate the conformational dynamics of alanine dipeptide under an external electric field by nonequilibrium molecular dynamics simulation. We consider the case of a constant and of an oscillatory field.
Apostolakis J., Astrakas L., Astrakas L. G., Bjelkmar P., Bohr H., Bohr H., Born B., Brooks C., Budi A., Budi A., Budi A., Christof Schütte, Ciccotti G., Ciccotti G., Ciccotti G., Damm M., Darden T., de la Hoz A., de Pomerai D., English N., Essmann U., Foloppe N., Gfeller D., Giovanni Ciccotti, Green M. S., Han Wang, Hess B., Inskip P. D., Jorgensen W. L., Kubo R., Luigi Delle Site, MacKerell A. D., Mancinelli F., Miyamoto S., Orlandini S., Orlandini S., Palla P., Parrinello M., Plusquellic D. F., Pronk S., Schütte C., Scovell D. L., Solomentsev G., Starzyk A., Toschi F., Vogel A.   +45 more
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A MICROBIOLOGICAL DETERMINATION OF ALANINE

Journal of Biological Chemistry, 1949
Howerde E. Sauberlich, C.A. Baumann
openalex   +4 more sources

Photoelectron circular dichroism of aqueous-phase alanine. [PDF]

Chem Sci
Amino acids and other small chiral molecules play key roles in biochemistry. However, in order to understand how these molecules behave in vivo, it is necessary to study them under aqueous-phase conditions. Photoelectron circular dichroism (PECD) has emerged as an extremely sensitive probe of chiral molecules, but its suitability for application to ...
Stemer D, Thürmer S, Trinter F, Hergenhahn U, Pugini M, Credidio B, Malerz S, Wilkinson I, Nahon L, Meijer G, Powis I, Winter B.   +11 more
europepmc   +2 more sources

Enzymatic determination of d-alanine with l-alanine dehydrogenase and alanine racemase

Bioscience, Biotechnology, and Biochemistry, 2021
ABSTRACT An enzymatic assay system of d-Ala, which is reported to affect the taste, was constructed using alanine racemase and l-alanine dehydrogenase. d-Ala is converted to l-Ala by alanine racemase and then deaminated by l-alanine dehydrogenase with the reduction of NAD+ to NADH, which is determined with water-soluble tetrazolium ...
Hiroyuki Ashida, Tohru Yoshimura, Yoshihiro Sawa   +2 more
openaire   +3 more sources

Electron and ion spectroscopy of the cyclo-alanine–alanine dipeptide

Physical Chemistry Chemical Physics, 2022
The VUV photoionisation and photofragmentation of cyclo-alanine-alanine (cAA) has been studied in a joint experimental and theoretical work. The photoelectron spectrum and the photoelectronphotoion coincidence (PEPICO) measurements, which enable control of the energy being deposited, combined with quantum chemistry calculations, provide direct insight ...
Jacopo Chiarinelli, Darío Barreiro-Lage, Paola Bolognesi, Robert Richter, Henning Zettergren, Mark H. Stockett, Sergio Díaz-Tendero, Lorenzo Avaldi   +7 more
openaire   +3 more sources

Targeting Human Endothelial Cells with Glutathione and Alanine Increases the Crossing of a Polypeptide Nanocarrier through a Blood–Brain Barrier Model and Entry to Human Brain Organoids

Cells, 2023
Nanoparticles (NPs) are the focus of research efforts that aim to develop successful drug delivery systems for the brain. Polypeptide nanocarriers are versatile platforms and combine high functionality with good biocompatibility and biodegradability. The
Mária Mészáros, Thi Ha My Phan, Judit P. Vigh, Gergő Porkoláb, Anna Kocsis, Emese K. Páli, Tamás F. Polgár, Fruzsina R. Walter, Silvia Bolognin, Jens C. Schwamborn, Jeng-Shiung Jan, Mária A. Deli, Szilvia Veszelka   +12 more
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