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Research Output 2015 2017

eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations

Capoferri, C. L., van Dijk, M., Rustenburg, A. S., Wassenaar, T., Kooi, D. P., Rifai, E. A., Vermeulen, N. P. E. & Geerke, D. P. 2017 In : Journal of Cheminformatics. 9, 58, p. 1-13 13 p.

Research output: Contribution to journalArticle

Open Access

Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory

Grossi, J., Kooi, D. P., Giesbertz, K. J. H., Seidl, M., Cohen, A. J., Mori-Sánchez, P. & Gori-Giorgi, P. 12 Dec 2017 In : Journal of Chemical Theory and Computation. 13, 12, p. 6089-6100 12 p.

Research output: Contribution to journalArticle

Open Access

Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project

Sanz, F., Carrio, P., Lopez, O., Capoferri, L., Kooi, D. P., Vermeulen, N. P. E., Geerke, D. P., Montanari, F., Ecker, G. F., Schwab, C. H., Kleinoeder, T., Magdziarz, T. & Pastor, M. Jun 2015 In : Molecular Informatics. 34, 6-7, p. 477-484

Research output: Contribution to journalArticle