Parallel FEMBEM computing of molecular solvation and ionic flows in a channel

来源 :2016年理论与高性能计算化学国际会议(International Conference on Theoretical | 被引量 : 0次 | 上传用户:xingxing123789
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  We will show our continuum(or implicit solvent)finite element/boundary element molecular modeling approaches in computations of molecular surface mesh,Poisson-Boltzmann electrostatic solvation energy,ion transport property of ion channels/nanopores.In particular,one application is to study the ion current signals of a DNA-nanopore system which is a potential technology for next generation of gen sequencing.Another application is to study the effect of charged substrate and product species to their diffusion-controlled binging rate.
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