S. D. de Leeuw

发表

Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constants

J. Perram, S. W. Leeuw, S. D. de Leeuw, 1980, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

Effect of diffusion on lithium intercalation in titanium dioxide.

S. D. de Leeuw, M. Koudriachova, N. Harrison, 2001, Physical review letters.

Parametrization of an anharmonic Kirkwood-Keating potential for AlxGa1-xAs alloys.

M. Ratner, M. Thorpe, J. Beckers, 2005, Journal of Chemical Physics.

Modeling amyloid fibril formation: a free-energy approach.

S. D. de Leeuw, M. G. Wolf, Jeroen van Gestel, 2008, Methods in molecular biology.

An advanced Gibbs-Duhem integration method: theory and applications.

S. D. de Leeuw, C. Peters, A. van 't Hof, 2006, The Journal of chemical physics.

Molecular insights: structure and dynamics of a Li ion doped organic ionic plastic crystal.

S. D. de Leeuw, M. Forsyth, P. Howlett, 2013, Physical chemistry chemical physics : PCCP.

Simulation of electrostatic systems in periodic boundary conditions. III. Further theory and applications

J. W. Perram, J. Perram, S. W. Leeuw, 1983, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

Monte Carlo calculations of the free energy of ice-like structures using the self-referential method

S. D. de Leeuw, M. Koudriachova, M. Sweatman, 2011 .

Rapid free energy calculation of peptide self-assembly by REMD umbrella sampling.

S. D. de Leeuw, J. Laman, J. Jongejan, 2008, The journal of physical chemistry. B.

Relative stability of homochiral and heterochiral dialanine peptides. Effects of perturbation pathways and force-field parameters on free energy calculations

W. V. van Gunsteren, C. Oostenbrink, S. D. de Leeuw, 2005 .

Monte Carlo calculations of the free energy of binary sII hydrogen clathrate hydrates for identifying efficient promoter molecules.

S. D. de Leeuw, M. Koudriachova, H. Cuppen, 2013, The journal of physical chemistry. B.

Computer simulation of the static dielectric constant of systems with permanent electric dipoles.

J. Perram, S. D. de Leeuw, S W De Leeuw, 1986, Annual review of physical chemistry.

Molecular simulation of binary vapour–liquid equilibria with components differing largely in volatility

C. Hall, S. W. Leeuw, S. D. de Leeuw, 2004 .

Fast in silico protein folding by introduction of alternating hydrogen bond potentials.

S. D. de Leeuw, M. G. Wolf, 2008, Biophysical journal.

A statistical-mechanical theory of fibril formation in dilute protein solutions.

S. D. de Leeuw, J. van Gestel, 2006, Biophysical journal.

Dynamics and lithium binding energies of polyelectrolytes based on functionalized poly(para-phenylene terephthalamide).

G. Kearley, S. D. de Leeuw, S. Picken, 2005, The journal of physical chemistry. B.

Concentration dependence of alpha-synuclein fibril length assessed by quantitative atomic force microscopy and statistical-mechanical theory.

V. Subramaniam, S. D. de Leeuw, I. Segers-Nolten, 2008, Biophysical journal.

Simulation of electrostatic systems in periodic boundary conditions. II. Equivalence of boundary conditions

J. W. Perram, J. Perram, S. W. Leeuw, 1980, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

Atomistic simulation of structure and dynamics of the plastic crystal diethyl(methyl)(isobutyl)phosphonium hexafluorophosphate.

S. D. de Leeuw, M. Forsyth, J. Pringle, 2013, Journal of Chemical Physics.

Computing the starting state for Gibbs-Duhem integration.

S. D. de Leeuw, C. Peters, A. van 't Hof, 2006, The Journal of chemical physics.

Reordering hydrogen bonds using hamiltonian replica exchange enhances sampling of conformational changes in biomolecular systems.

Peter G Bolhuis, Jocelyne Vreede, P. Bolhuis, 2009, The journal of physical chemistry. B.

Quantitative prediction of amyloid fibril growth of short peptides from simulations: calculating association constants to dissect side chain importance.

S. D. de Leeuw, J. Laman, J. Jongejan, 2008, Journal of the American Chemical Society.