Determining suitable lego-structures to estimate stability of larger peptide nanostructures using computational methods

Tamás Beke, András Czajlik, I. Csizmadia, A. Perczel

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Nanofibers, nanofilms and nanotubes constructed of one to four strands of oligo-α- and oligo-β-peptides were obtained by using carefully selected building units. Lego-type approaches based on thermoneutral isodesmic reactions can be used to reconstruct the total energies of both linear and tubular periodic nanostructures with acceptable accuracy. Total energies of several different nanostructures were accurately determined with errors typically falling in the subchemical range. Thus, attention will be focused on the description of suitable isodesmic reactions that have enabled the determination of the total energy of polypeptides and therefore offer a very fast, efficient and accurate method to obtain energetic information on large and even very large nanosystems.

Original languageEnglish
JournalPhysical Biology
Volume3
Issue number1
DOIs
Publication statusPublished - Mar 1 2006

Fingerprint

Nanostructures
Nanofibers
Nanotubes
Peptides

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Cell Biology

Cite this

Determining suitable lego-structures to estimate stability of larger peptide nanostructures using computational methods. / Beke, Tamás; Czajlik, András; Csizmadia, I.; Perczel, A.

In: Physical Biology, Vol. 3, No. 1, 01.03.2006.

Research output: Contribution to journalArticle

@article{9d12d644f49f436d991acb29e918aa92,
title = "Determining suitable lego-structures to estimate stability of larger peptide nanostructures using computational methods",
abstract = "Nanofibers, nanofilms and nanotubes constructed of one to four strands of oligo-α- and oligo-β-peptides were obtained by using carefully selected building units. Lego-type approaches based on thermoneutral isodesmic reactions can be used to reconstruct the total energies of both linear and tubular periodic nanostructures with acceptable accuracy. Total energies of several different nanostructures were accurately determined with errors typically falling in the subchemical range. Thus, attention will be focused on the description of suitable isodesmic reactions that have enabled the determination of the total energy of polypeptides and therefore offer a very fast, efficient and accurate method to obtain energetic information on large and even very large nanosystems.",
author = "Tam{\'a}s Beke and Andr{\'a}s Czajlik and I. Csizmadia and A. Perczel",
year = "2006",
month = "3",
day = "1",
doi = "10.1088/1478-3975/3/1/S04",
language = "English",
volume = "3",
journal = "Physical Biology",
issn = "1478-3967",
publisher = "IOP Publishing Ltd.",
number = "1",

}

TY - JOUR

T1 - Determining suitable lego-structures to estimate stability of larger peptide nanostructures using computational methods

AU - Beke, Tamás

AU - Czajlik, András

AU - Csizmadia, I.

AU - Perczel, A.

PY - 2006/3/1

Y1 - 2006/3/1

N2 - Nanofibers, nanofilms and nanotubes constructed of one to four strands of oligo-α- and oligo-β-peptides were obtained by using carefully selected building units. Lego-type approaches based on thermoneutral isodesmic reactions can be used to reconstruct the total energies of both linear and tubular periodic nanostructures with acceptable accuracy. Total energies of several different nanostructures were accurately determined with errors typically falling in the subchemical range. Thus, attention will be focused on the description of suitable isodesmic reactions that have enabled the determination of the total energy of polypeptides and therefore offer a very fast, efficient and accurate method to obtain energetic information on large and even very large nanosystems.

AB - Nanofibers, nanofilms and nanotubes constructed of one to four strands of oligo-α- and oligo-β-peptides were obtained by using carefully selected building units. Lego-type approaches based on thermoneutral isodesmic reactions can be used to reconstruct the total energies of both linear and tubular periodic nanostructures with acceptable accuracy. Total energies of several different nanostructures were accurately determined with errors typically falling in the subchemical range. Thus, attention will be focused on the description of suitable isodesmic reactions that have enabled the determination of the total energy of polypeptides and therefore offer a very fast, efficient and accurate method to obtain energetic information on large and even very large nanosystems.

UR - http://www.scopus.com/inward/record.url?scp=33645523940&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33645523940&partnerID=8YFLogxK

U2 - 10.1088/1478-3975/3/1/S04

DO - 10.1088/1478-3975/3/1/S04

M3 - Article

VL - 3

JO - Physical Biology

JF - Physical Biology

SN - 1478-3967

IS - 1

ER -