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1. 1. Charged Polymers: From DNA to Polyampholytes

   Författare :Malek O Khan; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; computational steering; DNA condensation; ion correlations; electrostatic interactions; colloidal stability; polyampholytes; Monte Carlo simulations; polyelectrolytes; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi;

   Sammanfattning : Three main themes are outlined in this thesis: Polyelectrolytes/DNA : In a living cell, DNA molecules have a compact conformation in order to fit in, while in a test tube they will take on an expanded cylindrical shape, due to the negative phosphate groups along the DNA molecule. With the help of computer simulations it has been shown that like-charged monomers of a poly- electrolyte can attract each other if the counterions are taken into account. LÄS MER