Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock
Zsolt Bikadi, Eszter Hazai · Journal of Cheminformatics · 2009
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Computational Theory and Mathematics
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Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation
Olgun Guvench, Alexander D. MacKerell · PLoS Computational Biology · 2009
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Use of QSARs in international decision-making frameworks to predict health effects of chemical substances.
Mark T D Cronin, Joanna S Jaworska, John D Walker et al. · Environmental Health Perspectives · 2003 · Review
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