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Well known benzimidazole based drugs – astemizole, omeprazole, lansoprazole, and thiabendazole – are studied whether those can bind with two different oligonucleotides sequences or not. Molecular docking study and further molecular dynamics are employed to find out the capability of these drugs toward different DNA sequences. The substitution at N2 with different atoms/group or heterocyclic moieties...
The phase and order behavior of charged asymmetric diblock‐copolymer melts is studied by using coarse‐grained molecular dynamics simulation. One of the blocks is made charged and other one is kept neutral, and the study systematically explores how the charged diblock‐coploymer responses as the charge fraction of the charged block is varied from 10% to 50%. When charge fraction increases, the study...
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