1 天前 - … Driven by the remarkable progress in ML techniques for single-molecule-based
DNA sequencing, we aim to investigate the meticulously crafted G/h-BN nanopore and the role …

18 天前 - … In the present work, we utilize quantum chemical topology (QCT) approaches 37
to study the characteristics of each hydrogen bond within the Watson−Crick GC nucleobase …

21 天前 - … between base pairs of double-stranded DNA through π–π … An extensive quantum
chemical study has been carried … To perform quantum chemical calculations and to calculate …

28 天前 - … good accuracy by quantum mechanical calculations using hybrid density functionals
[1,2]. B3LYP/DFT/6-311 (d,p) method [3] was used to predict quantum chemical reactivity …

36 天前 - … to provide the basic quantum knowledge in order to describe the dynamics of
protons in DNA, the influence of the environment on the quantum biological processes, quantum …

41 天前 - … To advance our goal of single DNA nucleotide basecalling from their quantum
tunneling signals, we adopted two running modes: optimistic and predictive (Figure 1a). In …

44 天前 - … The method employs benign and inexpensive chemicals … coating with biopolymers
(eg DNA), making them suitable … detecting PPi released during DNA synthesis in polymerase …

44 天前 - … activation for hydrolysis and reaction with DNA base, respectively. We considered
adenine as a representative of the DNA base to understand the reactivity of nitrosamines for …

45 天前 - … of DNA nucleotides onto graphene sheets. The stable configurations of DNA
bases … functional theory (DFT) for quantum chemical calculations. The adsorption energies …

48 天前 - … These states are formed through vertical electron attachment processes and have
the potential to induce various forms of DNA lesions, including base damage, single- and …