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Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 10 Similar Profiles
Electron-electron interactions Engineering & Materials Science
Density functional theory Engineering & Materials Science
Pipelines Engineering & Materials Science
Ligands Engineering & Materials Science
Statistics Engineering & Materials Science
statistics Physics & Astronomy
density functional theory Physics & Astronomy
ligands Physics & Astronomy

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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 JournalArticleAcademicpeer-review

Open Access
Pipelines
Ligands
energy
ligands
Free energy

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 JournalArticleAcademicpeer-review

Open Access
Electron-electron interactions
Density functional theory
Statistics
statistics
density functional theory

Improving the iterative linear interaction energy approach using automated recognition of configurational transitions.

Vosmeer, C. R., Kooi, D. P., Capoferri, L., Terpstra, M. M., Vermeulen, N. P. E. & Geerke, D. P., 2016, In : Journal of Molecular Modeling. 1, 31

Research output: Contribution to JournalArticleAcademicpeer-review

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 JournalArticleAcademicpeer-review