Molecular and Computational Toxicology

Fingerprint The fingerprint is based on mining the text of the scientific documents related to the associated persons. Based on that an index of weighted terms is created, which defines the key subjects of research unit

Cytochrome P-450 Enzyme System Medicine & Life Sciences
Rats Chemical Compounds
Metabolites Chemical Compounds
Cytochrome P-450 CYP2D6 Medicine & Life Sciences
Liver Chemical Compounds
Acetaminophen Medicine & Life Sciences
Glutathione Transferase Medicine & Life Sciences
Metabolism Chemical Compounds

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Profiles

No photo of W. Cai

W. Cai

No photo of Giada Carta

Giada Carta

Person: Academic

20152018
No photo of Vidya Chandrasekaran
Photo of J.N.M. Commandeur
19872019
Photo of Floor Dohmen
20192019

Research Output 1977 2019

A mode-of-action ontology model for safety evaluation of chemicals: Outcome of a series of workshops on repeated dose toxicity

Desprez, B., Birk, B., Blaauboer, B., Boobis, A., Carmichael, P., Cronin, M. T. D., Curie, R., Daston, G., Hubesch, B., Jennings, P., Klaric, M., Kroese, D., Mahony, C., Ouédraogo, G., Piersma, A., Richarz, A. N., Schwarz, M., van Benthem, J., van de Water, B. & Vinken, M., 4 Apr 2019, In : Toxicology in Vitro. 59, p. 44-50 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Chemical Safety
Ontology
Toxicity
Education
Cosmetics

Application of three approaches for quantitative AOP development to renal toxicity

Zgheib, E., Gao, W., Limonciel, A., Aladjov, H., Yang, H., Tebby, C., Gayraud, G., Jennings, P., Sachana, M., Beltman, J. B. & Bois, F. Y., 1 Aug 2019, In : Computational Toxicology. 11, p. 1-13 13 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Systems Biology
Toxicity
Kidney
Chronic Renal Insufficiency
Calibration

Automated partial atomic charge assignment for drug-like molecules: A fast knapsack approach

Engler, M. S., Caron, B., Veen, L., Geerke, D. P., Mark, A. E. & Klau, G. W., 5 Feb 2019, In : Algorithms for Molecular Biology. 14, 1, p. 1-10 10 p., 1.

Research output: Contribution to JournalArticleAcademicpeer-review

Knapsack
Drugs
Assignment
Charge
Molecules
Sulfaphenazole
Floxacillin
Cytochrome P-450 CYP3A
Cytochromes
Hydroxylation

Deriving Force-Field Parameters from First Principles Using a Polarizable and Higher Order Dispersion Model

Visscher, K. M. & Geerke, D. P., 14 Feb 2019, In : Journal of Chemical Theory and Computation. 15, 3, p. 1875–1883 9 p.

Research output: Contribution to JournalArticleAcademicpeer-review

field theory (physics)
inclusions
Molecular mechanics
Alkanes
Dipole moment

Activities 1996 2017

  • 125 Lecture / Presentation
  • 1 Membership

AIMMS (Organisational unit)

Eko Aditya Rifai (Member)
2017 → …

Activity: MembershipAcademic

Science, Business and Innovation

B.A.G. Bossink (Speaker)
28 Apr 2014

Activity: Lecture / PresentationAcademic

Demonstration projects for sustainable energy

B.A.G. Bossink (Speaker)
19 May 2014

Activity: Lecture / PresentationAcademic

Identification and characterisation of Hsp70-containing protein complexes from Saccharomyces cerevisiae

P. van Breugel (Speaker)
14 Oct 2002

Activity: Lecture / PresentationAcademic

Identification and characterisation of Hsp70-containing protein complexes from Saccharomyces cerevisiae

P. van Breugel (Speaker)
12 Oct 2001

Activity: Lecture / PresentationAcademic

Prizes

Cefic Long-Range Research Initiative Award

Alice Limonciel (Recipient), 2015

PrizeAcademic

honors and awards

LPDP grant

E.A. Rifai (Recipient), 2014

PrizeAcademic

grant

Lush Young Researcher Prize

Alice Limonciel (Recipient), 2013

PrizeAcademic

Safety testing
Animals

Otto Kraupp Preis

A. Wilmes (Recipient), 6 Jun 2017

PrizeAcademic

Press / Media

TeamNL

B.A.G. Bossink

13/12/15

1 media contribution

Press/Media: Other

TeamNL

B.A.G. Bossink

6/12/15

1 media contribution

Press/Media: Other

TeamNL

B.A.G. Bossink

29/11/15

1 media contribution

Press/Media: Other

TeamNL

B.A.G. Bossink

22/11/15

1 media contribution

Press/Media: Other

TeamNL

B.A.G. Bossink

15/11/15

1 media contribution

Press/Media: Other