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Titolo:
ORIGIN OF THE ANOMALOUS DIFFUSION OBSERVED BY MD SIMULATION AT THE PROTEIN-WATER INTERFACE
Autore:
BIZZARRI AR; ROCCHI C; CANNISTRARO S;
Indirizzi:
UNIV PERUGIA,DIPARTIMENTO FIS,UNITA INFM I-06100 PERUGIA ITALY UNIV PERUGIA,DIPARTIMENTO FIS,UNITA INFM I-06100 PERUGIA ITALY UNIV TUSCIA,DIPARTIMENTO SCI AMBIENTALI I-00110 VITERBO ITALY
Titolo Testata:
Chemical physics letters
fascicolo: 3-4, volume: 263, anno: 1996,
pagine: 559 - 566
SICI:
0009-2614(1996)263:3-4<559:OOTADO>2.0.ZU;2-H
Fonte:
ISI
Lingua:
ENG
Soggetto:
RESIDENCE TIMES; MOLECULAR-DYNAMICS; HYDRATION; PLASTOCYANIN; RELAXATION; MYOGLOBIN; LYSOZYME; SURFACES; SYSTEMS; MODEL;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
34
Recensione:
Indirizzi per estratti:
Citazione:
A.R. Bizzarri et al., "ORIGIN OF THE ANOMALOUS DIFFUSION OBSERVED BY MD SIMULATION AT THE PROTEIN-WATER INTERFACE", Chemical physics letters, 263(3-4), 1996, pp. 559-566

Abstract

Our recent molecular dynamics simulations of water-plastocyanin systems have shown evidence of a sublinear trend in time, for long times, of the mean square displacements of water oxygens. In this Letter, we extensively analyze the role played by the spatial (protein surface roughness) and temporal (distribution of water residence times) disorder intrinsic to the systems investigated in determining the observed anomalous diffusion process. Moreover, the occurrence of a correlated motion of waters, due to the glassy character of the protein-water interface, is explored in the framework of mode coupling theory.

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Documento generato il 28/11/20 alle ore 00:42:58