Browsing Τμήμα Φυσικής / Department of Physics by Subject "Calculations"
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Article
Continuum treatment of long-range interactions in free energy calculations. Application to protein-ligand binding
(1997)A method is proposed to include long-range electrostatic interactions in free energy calculations that involve the creation or deletion of net charges in a macromolecule. The vicinity of the mutation site is treated ...
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Article
Piecewise linear emulator of the nonlinear Schrödinger equation and the resulting analytic solutions for Bose-Einstein condensates
(2003)A most general method for finding very good analytic approximate solutions to the cubic nonlinear Schrodinger equation is presented. This method applies whenever the nonlinearity in that equation is a purely cubic one. It ...