… We report molecular dynamics simulations of DNA adsorption … We have modeled a DNA
segment with 12 base pairs (… Our molecular simulations provide a detailed look at DNA−…

… A goal of this work is to study the structure and orientation of DNA bases adsorbed on the
Au(111) surface with molecular dynamics simulations. We have also studied the motion …

… In summary, we have performed MD simulations to explore the adsorption of short DNA
segments on PG and GO. The ssDNA is firmly adsorbed and lies flat on the graphene surface, …

… Simulation methods We performed MD simulations of GO absorbing DNA segments. Two …
dodecamer, which had been previously used in molecular simulations [24]. The GO model (…

… In summary, we found from molecular simulations that short DNA segments consisting of up
to 12 … Theoretical aspects of the adsorption of normal and modified base pairs of DNA on …

… adsorption as a function of distance from the titanium oxide layer. The preliminary estimates
of the relative adsorption free energies of DNA … when a long DNA chain reaches the surface. …

… sheet and DNA. Yet so far, the adsorption orientation and behavior of DNA on MoS 2 … The
appearance of molecular simulation method [27] could greatly enhanced our understanding on …

… DNA and RNA) are the most important genetic materials for life, we have chosen adsorption
… To this regard, we perform AIMD simulations of different nucleobases adsorbed over the C 2 …

… molecular simulation with experimental SMFS measurements, we seek to make connections
between experiment, theory, and simulation, … homo-oligomeric ssDNA adsorbed at both the …

… Simulated Adsorption Isotherms with Experiment Molecular simulation of adsorption in …
Adsorption on the external surface of the solid is usually ignored and Eq. 1 may be written …