Výsledky vyhledávání - "Papamokos, G. V."

Structural Role of RKS Motifs in Chromatin Interactions: A Molecular Dynamics Study of HP1 Bound to a Variably Modified Histone Tail

Autor: Papamokos, G. V., Tziatzos, G., Papageorgiou, D. G., Georgatos, S. D., Politou, A. S., Kaxiras, E.

The current understanding of epigenetic signaling assigns a central role to post-translational modifications that occur in the histone tails. In this context, it has been proposed that methylation of K9 and phosphorylation of S10 in the tail of histo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_____10561::e745725da7627cdfa1fc2c0d5132f89f
http://olympias.lib.uoi.gr/jspui/handle/123456789/14529

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Location of amide I mode of vibration in computed data utilizing constructed neural networks

Autor: Papamokos, G. V., Tsoulos, I. G., Demetropoulos, I. N., Glavas, E.

An automatic location method of amide I mode of vibration between computed data is proposed, based on the well established neural network model of artificial intelligence. This method was developed by constructing and testing the neural network on pr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_____10561::65cf57600b81a71d6abcc0a9a110ab37
http://olympias.lib.uoi.gr/jspui/handle/123456789/8381

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Biomolecular springs: Low-frequency collective helical vibrations of Ace-Gly(n)-NHMe (n=3-8). A DFT study employing the PW91(XC) functional

Autor: Papamokos, G. V., Demetropoulos, I. N.

The collective helical vibrations of the Ace-Gly(n)-NHMe (n = 3, 4, 5, 6, 7, 8) series of molecules were studied. The computational vibration analysis at the DFT PW91(XC)/6-31+G* level of theory confirmed the kinds of vibrations that were previously

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_____10561::a02ddf0f4c6fda22d9f0f3c10a7d90d7
http://olympias.lib.uoi.gr/jspui/handle/123456789/9983

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Vibrational frequencies of amides and amide dimers: The assessment of PW91(xc) functional

Autor: Papamokos, G. V., Demetropoulos, I. N.

PW91(XC) functional has recently been assessed for the interaction energies of selected dimers in which the nonbonded interactions play a critical role. In this study, we assess the PW91(XC) functional with the 6-31+G* basis set for the vibrational s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_____10561::0093fd3469ca5b97f66a59fccb2cbf4c
http://olympias.lib.uoi.gr/jspui/handle/123456789/9844

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Multitask molecular springs: Collective helical vibrations of R2Sn (R = H, C6H5, C2H3, CCl3) - A quantum mechanical study

Autor: Papamokos, G. V., Demetropoulos, I. N.

The H2Sn homologous series is proposed as a model for the collective vibrations of helical molecules. The polysulfane series was selected as the molecular set that resembles most closely a molecular discretization of a continuous helical curve. The c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_____10561::68d2ddf24be29990cadbe23fd4014af6
http://olympias.lib.uoi.gr/jspui/handle/123456789/8550

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Periodical

Multitask Molecular Springs: Collective Helical Vibrations of R2Sn (R = H, C6H5, C2H3, CCl3)&sbd;A Quantum Mechanical Study

Autor: Papamokos, G. V., Demetropoulos, I. N.

Publikováno v: The Journal of Physical Chemistry - Part A; March 2002, Vol. 106 Issue: 9 p1661-1669, 9p

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