Discrete molecular dynamics simulations of peptide aggregation

S. Peng; F. Ding; B. Urbanc; S. V. Buldyrev; L. Cruz; H. E. Stanley; Nikolay Dokholyan

Discrete molecular dynamics simulations of peptide aggregation

S. Peng
, F. Ding
, B. Urbanc
, S. V. Buldyrev
, L. Cruz
, H. E. Stanley
, Nikolay Dokholyan

Research output: Contribution to journal › Article › peer-review

Abstract

The aggregation of peptides was investigated by molecular dynamics simulations. It was found that the model peptides aggregate into a multilayer parallel β-sheet structure at temperatures above the melting point. The structure was found to have an interstrand distance of 4.8 Å and an intersheet distance of 10 Å. Results show that hydrogen bond interactions give rise to the interstrand spacing in β sheets.

Original language	English (US)
Article number	041908
Pages (from-to)	041908-1-041908-7
Journal	Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume	69
Issue number	4 1
State	Published - Apr 2004

All Science Journal Classification (ASJC) codes

Statistical and Nonlinear Physics
Statistics and Probability
Condensed Matter Physics

Cite this

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title = "Discrete molecular dynamics simulations of peptide aggregation",

abstract = "The aggregation of peptides was investigated by molecular dynamics simulations. It was found that the model peptides aggregate into a multilayer parallel β-sheet structure at temperatures above the melting point. The structure was found to have an interstrand distance of 4.8 {\AA} and an intersheet distance of 10 {\AA}. Results show that hydrogen bond interactions give rise to the interstrand spacing in β sheets.",

author = "S. Peng and F. Ding and B. Urbanc and Buldyrev, \{S. V.\} and L. Cruz and Stanley, \{H. E.\} and Nikolay Dokholyan",

year = "2004",

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T1 - Discrete molecular dynamics simulations of peptide aggregation

AU - Peng, S.

AU - Ding, F.

AU - Urbanc, B.

AU - Buldyrev, S. V.

AU - Cruz, L.

AU - Stanley, H. E.

AU - Dokholyan, Nikolay

PY - 2004/4

Y1 - 2004/4

N2 - The aggregation of peptides was investigated by molecular dynamics simulations. It was found that the model peptides aggregate into a multilayer parallel β-sheet structure at temperatures above the melting point. The structure was found to have an interstrand distance of 4.8 Å and an intersheet distance of 10 Å. Results show that hydrogen bond interactions give rise to the interstrand spacing in β sheets.

AB - The aggregation of peptides was investigated by molecular dynamics simulations. It was found that the model peptides aggregate into a multilayer parallel β-sheet structure at temperatures above the melting point. The structure was found to have an interstrand distance of 4.8 Å and an intersheet distance of 10 Å. Results show that hydrogen bond interactions give rise to the interstrand spacing in β sheets.

UR - https://www.scopus.com/pages/publications/42749108544

UR - https://www.scopus.com/pages/publications/42749108544#tab=citedBy

M3 - Article

C2 - 15169044

AN - SCOPUS:42749108544

SN - 1539-3755

VL - 69

SP - 041908-1-041908-7

JO - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

JF - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

IS - 4 1

M1 - 041908

ER -

Discrete molecular dynamics simulations of peptide aggregation

Abstract

All Science Journal Classification (ASJC) codes

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