… with modified WC binding faces and each canonical DNA base, our data reveal the effects
of nucleobase methylation on the base-pairing potential are highly dependent on the damage …

… Canonical 2-deoxyribonucleotide The simplest structural models that have all three chemical
units that compose a DNA (a DNA base, a 2′-deoxyribose sugar, and a phosphate group) …

In the present study, various hydrogen bonded complexes between five-fluorouracil (FU)
with AT and GC base pairs were studied. First, to determine the affinity of different sites of the …

Full article: Role of 6-Mercaptopurine in the potential therapeutic targets DNA base pairs and
G-quadruplex DNA: insights from quantum chemical and molecular dynamics simulations …

… the BDE for 39 DNA BPs in light of the IQA theory. The energy analysis revealed that the
main element of the BDE between the bases generally originates from the quantum mechanical …

… •DNA và có thể được chuyển hóa thành tín hiệu điện giúp phát hiện chọn lọc các DNA base…
Các kết quả tính toán cung cấp những hiểu biết cơ bản về cơ chế hấp phụ các DNA base …

… anthraquinones and DNA bases and DNA base pairs) was … charge transfer takes place
from DNA base pairs (AT and GC) … between anthraquinone and DNA base pair which is in …

… that terminal base-pair fraying/breathing for B-DNA is significantly reduced in Tumuc1
compared to OL15 and bsc1 (2.0 vs 38/25%). Considering the Rmsd for the entire DNA molecule, …

… that most of the non-canonical base pairs with DNA bases are stable even in the absence
of … Our quantum chemical studies suggest an intrinsically non-planar geometry for G:G base …

… Also, the interactions between the molecule with DNA bases such as adenine, cytosine,
guanine, and thymine were investigated by using the ECT (electrophilicity-based charge transfer…