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Titolo:
A study of DNA tethered to surface by an all-atom molecular dynamics simulation
Autore:
Wong, KY; Pettitt, BM;
Indirizzi:
Univ Houston, Dept Chem, Houston, TX 77204 USA Univ Houston Houston TX USA 77204 uston, Dept Chem, Houston, TX 77204 USA Univ Houston, Inst Mol Design, Houston, TX 77204 USA Univ Houston HoustonTX USA 77204 Inst Mol Design, Houston, TX 77204 USA
Titolo Testata:
THEORETICAL CHEMISTRY ACCOUNTS
fascicolo: 3, volume: 106, anno: 2001,
pagine: 233 - 235
SICI:
1432-881X(200107)106:3<233:ASODTT>2.0.ZU;2-D
Fonte:
ISI
Lingua:
ENG
Soggetto:
EMPIRICAL FORCE-FIELD; NUCLEIC-ACIDS; COMPUTER-SIMULATIONS; WATER; POLYELECTROLYTES; HYBRIDIZATION; MICROARRAYS; EQUILIBRIUM; CONSTANTS; SYSTEMS;
Tipo documento:
Letter
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
31
Recensione:
Indirizzi per estratti:
Indirizzo: Pettitt, BM Univ Houston, Dept Chem, 4800 Calhoun, Houston, TX 77204 USA Univ Houston 4800 Calhoun Houston TX USA 77204 n, TX 77204 USA
Citazione:
K.Y. Wong e B.M. Pettitt, "A study of DNA tethered to surface by an all-atom molecular dynamics simulation", THEOR CH AC, 106(3), 2001, pp. 233-235

Abstract

In order to understand the structure of DNAs and their interactions when on microarray surfaces, we performed the first all-atom molecular dynamics simulation of DNA tethered to a surface. On the surface, the binding of the DNA was enhanced, and its average equilibrium conformation was the B form. The DNA duplex spontaneously tilted towards its nearest neighbor and settled in a leaning position with a interaxial distance of 2.2 nm. This close packing of the DNAs, which affects both in situ synthesis and deposition of probes on microarray surfaces, can thus be explained by salted-induced colloidlike DNA-DNA attractions.

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Documento generato il 09/07/20 alle ore 01:26:53