Theoretical study of large conformational transitions in DNA: the B↔A conformational change in water and ethanol/water
نویسندگان
چکیده
منابع مشابه
Theoretical study of large conformational transitions in DNA: the B↔A conformational change in water and ethanol/water
We explore here the possibility of determining theoretically the free energy change associated with large conformational transitions in DNA, like the solvent-induced B<-->A conformational change. We find that a combination of targeted molecular dynamics (tMD) and the weighted histogram analysis method (WHAM) can be used to trace this transition in both water and ethanol/water mixture. The pathw...
متن کاملTheoretical Analysis of Competing Conformational Transitions in Superhelical DNA
We develop a statistical mechanical model to analyze the competitive behavior of transitions to multiple alternate conformations in a negatively supercoiled DNA molecule of kilobase length and specified base sequence. Since DNA superhelicity topologically couples together the transition behaviors of all base pairs, a unified model is required to analyze all the transitions to which the DNA sequ...
متن کاملTheoretical study of conformational properties and the anomeric effect study of the 2- phosphinanes
Ab initio HF/6-31G* Methode was employed to calculate the bond length in 2- phosphinanes when electronegative groups was at C-2 tend axial and equatorial positions. The magnitude of the anomeric effect depends on the nature of the substituent, the effect of the substituent can be seen by comparing the bond length in 2-chloro and 2-boromo substituented phosphinanes. The effect of anomeric eff...
متن کاملTheoretical study of conformational properties and the anomeric effect study of the 2- phosphinanes
Ab initio HF/6-31G* Methode was employed to calculate the bond length in 2- phosphinanes when electronegative groups was at C-2 tend axial and equatorial positions. The magnitude of the anomeric effect depends on the nature of the substituent, the effect of the substituent can be seen by comparing the bond length in 2-chloro and 2-boromo substituented phosphinanes. The effect of anomeric eff...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Nucleic Acids Research
سال: 2007
ISSN: 1362-4962,0305-1048
DOI: 10.1093/nar/gkl1135