Zobrazeno 1 - 10
of 154
pro vyhledávání: '"Glykos, Nicholas M."'
Publikováno v:
J. Chem. Inf. Model. 2024, 64, 15, 6081-6091
The effect of mutations on protein structures is usually rather localized and minor. Finding a mutation that can single-handedly change the fold and/or topology of a protein structure is a rare exception. The A31P mutant of the homodimeric Repressor
Externí odkaz:
http://arxiv.org/abs/2404.01405
Viroporins are small viral proteins that oligomerize in the membrane of host cells and induce the formation of hydrophilic pores in these membranes, thus altering the physiological properties of the host cells. Due to their significance for viral pat
Externí odkaz:
http://arxiv.org/abs/2209.05377
Autor:
Gkogka, Ioanna, Glykos, Nicholas M.
Peptide T is a synthetic octapeptide fragment, which corresponds to the region 185-192 of the gp120 HIV coat protein and functions as a viral entry inhibitor. In this work, a folding molecular dynamics simulation of peptide T in a membrane-mimicking
Externí odkaz:
http://arxiv.org/abs/2112.14185
Publikováno v:
PLoS ONE (2020), 15(12): e0243429
Both molecular mechanical and quantum mechanical calculations play an important role in describing the behavior and structure of molecules. In this work, we compare for the same peptide systems the results obtained from folding molecular dynamics sim
Externí odkaz:
http://arxiv.org/abs/2002.11013
We describe a robust, fast, and memory-efficient procedure that can cluster millions of structures derived from molecular dynamics simulations. The essence of the method is based on a peak-picking algorithm applied to three- and five-dimensional dist
Externí odkaz:
http://arxiv.org/abs/1512.04024
Quantifying convergence and sufficient sampling of macromolecular molecular dynamics simulations is more often than not a source of controversy (and of various ad hoc solutions) in the field. Clearly, the only reasonable, consistent and satisfying wa
Externí odkaz:
http://arxiv.org/abs/1309.1108
Autor:
Fadouloglou, Vasiliki E., Tampakaki, Anastasia P., Glykos, Nicholas M., Bastaki, Marina N., Hadden, Jonathan M., Phillips, Simon E., Panopoulos, Nicholas J., Kokkinidis, Michael
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2004 Jan 01. 101(1), 70-75.
Externí odkaz:
https://www.jstor.org/stable/3148375
Autor:
Mitsikas, Dimitrios A.1 (AUTHOR), Glykos, Nicholas M.1 (AUTHOR) glykos@mbg.duth.gr
Publikováno v:
PLoS ONE. 12/3/2020, Vol. 15 Issue 12, p1-24. 24p.
Akademický článek
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Publikováno v:
In Computer Methods and Programs in Biomedicine September 2013 111(3):711-714