A novel coarse-grained description of protein structure and folding by UNRES force field and discrete nonlinear Schrödinger equation

Józef Adam Liwo , Antti Niemi , Xubiao Peng , Adam Sieradzan


Author Józef Adam Liwo (FCh / DTCh / LMM)
Józef Adam Liwo,,
- Laboratory of Molecular Modeling
, Antti Niemi
Antti Niemi,,
, Xubiao Peng
Xubiao Peng,,
, Adam Sieradzan (FCh / DTCh / LMM)
Adam Sieradzan,,
- Laboratory of Molecular Modeling
Publication size in sheets1.5
Book Haq Zaheer-ul, Madura J. D. (eds.): Frontiers in Computational Chemistry, vol. 1, 2015, Bentham Science Publishers, ISBN 978-1-60805-865-5, [978-1-60805-864-8], 359 p.
Keywords in EnglishUNRES, force-field, Davydov soliton, dark soliton, molecular dynamics, energy landscape, Landau Hamiltonian, gauge inverse, physics-based, cumulant-cluster expansion, mean-force potentials, loop structures, wave-analysis physics, protein flexibility, kink formation, kink disappearance, kink movement, folding pathways, local interactions
Languageen angielski
Score (nominal)5
ScoreMinisterial score = 5.0, 05-09-2019, MonographChapterAuthor
Citation count*2 (2020-02-29)
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