de Jong, D. H., L. V. Schaefer, A. H. de Vries, S. J. Marrink, H. J. C. Berendsen and H. Grubmüller: Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.. In: Journal of Computational Chemistry 32, 9, 1919-1928 (2011).
url: http://onlinelibrary.wiley.com/doi/10.1002/jcc.21776/pdf
Sherwood, P., A. H. de Vries, M. F. Guest, G. Schreckenbach, C. R. A. Catlow, S. A. French, A. A. Sokol, S. T. Bromley, W. Thiel, A. J. Turner, S. Billeter, F. Terstegen, S. Thiel, J. Kendrick, S. C. Rogers, J. Casci, M. Watson, F. King, E. Karlsen, M. Sjøvoll, A. Fahmi, A. Schäfer and C. Lennartz: QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis. In: Journal of Molecular Structure-Theochem 632, Sp. Iss. Sp. Iss. SI, 1-28 (2003).
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