TY - JOUR
T1 - A study of DNA tethered to a surface by an all-atom molecular dynamics simulation
AU - Wong, Ka Yiu
AU - Pettitt, B. Montgomery
PY - 2001/7/1
Y1 - 2001/7/1
N2 - 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.
AB - 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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U2 - 10.1007/s002140100269
DO - 10.1007/s002140100269
M3 - Article
AN - SCOPUS:0035588097
VL - 106
SP - 233
EP - 235
JO - Theoretical Chemistry Accounts
JF - Theoretical Chemistry Accounts
SN - 1432-881X
IS - 3
ER -