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RISEvaluation of DNA- targeted Anticancer Interaction by Molecular Dynamic Simulation; Ethyl Butyryl Triphenyl Phosphonium Chloride
In this research, the interaction of ethyl butyryl triphenyl phosphonium chloride as an anticancer drug with a DNA which composed of twelve base pairs (Dickerson dodecamer) has been investigated. Molecular dynamic simulation ...
Molecular dynamic simulation and DFT study on the Drug-DNA interaction; Crocetin as an anticancer and DNA nanostructure model
In this research, the interaction of Crocetin as an anticancer drug and a Dickerson DNA has been investigated. 25 ns molecular dynamic simulations of Crocetin and DNA composed of twelve base pairs and a sequence of ...
Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA
In this work, the interactions of the crocin and dimethylcrocetin (DMC) as anti-cancer drugs with a Dickerson DNA was investigated. Molecular dynamic simulations of Crocin, DMC and DNA composed of twelve base pairs and a ...
Drug-DNA interaction, A joint DFT-D3/MD study on the Safranal as an anticancer and DNA nanostructure model
In this research, the interaction of safranal (2,6,6-trimethylcyclohexa-1,3-dien-1-carboxaldehyde) as an anti-cancer drug and a Dickerson B-DNA by a combination of the quantum mechanics and molecular dynamic (MD) simulations ...
Evaluation\tof\tthe\tDNA-targeted\tanti-cancer\tinteraction by\tmd\tsimulation
In\t the\t recent\t years,\t many\t researchers\t have\t been\t concentrated\t on\t the\t interaction\t analysis\t of \t small molecules\t with\t DNA.\t Recent\t advances\t in\t nanobiotechnology,\t molecular\t dynamic\t ...