Publications

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Journal Article
F. A. Hamprecht, Thiel, W., and van Gunsteren, W. F., Chemical library subset selection algorithms: a unified derivation using spatial statistics, Journal of Chemical Information and Computer Sciences, vol. 42, pp. 414-428, 2002.
F. A. Hamprecht, Achleitner, U., Krismer, A. C., Lindner, K. H., Wenzel, V., Strohmenger, H. - U., Thiel, W., and van Gunsteren, W. F., Fibrillation power: An alternative method of ECG spectral analysis for prediction of countershock success in a porcine model of ventricular fibrillation, Resuscitation, vol. 50, pp. 287-296, 2001.
F. A. Hamprecht, Scott, W. R. P., and van Gunsteren, W. F., Generation of pseudo-native protein structures for threading, Proteins, vol. 28, pp. 522-529, 1997.
P. J. Gee, Hamprecht, F. A., Schuler, L. D., van Gunsteren, W. F., Duchardt, E., Schwalbe, H., Albert, M., and Seebach, D., A molecular dynamics simulation study of the conformational preferences of oligo-(3- hydroxyalcanoic acids) in chloroform solution, Helv. Chim. Acta, vol. 85, pp. 618-632, 2002.
F. A. Hamprecht, Peter, C., Daura, X., Thiel, W., and van Gunsteren, W. F., A strategy for analysis of (molecular) equilibrium simulations: configuration space density estimation, clustering and visualization, Journal of Chemical Physics, vol. 114, pp. 2079-2089, 2001.