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Pei-Kun Yang

2012-05-09
15:00:00 - 17:00:00

308 , Mathematics Research Center Building (ori. New Math. Bldg.)

The dielectric polarization P surrounding the solute from Gauss’s law is quite different with from molecular dynamics simulations using an explicit solvent model. For treating the problems such as protein folding, protein-protein/ligand interactions, or the effect of the external electric field to protein function, the electromagnetic equations were derived that (1) the solution of P behaves oscillation as distance to solute as from molecular dynamics simulations using an explicit solvent model, and (2) they can treat time-dependent electromagnetic interactions as Maxwell’s equations do.