Molecular and Computational Toxicology

Fingerprint Dive into the research topics where Molecular and Computational Toxicology is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.

Cytochrome P-450 Enzyme System Medicine & Life Sciences
Cytochrome P-450 CYP2D6 Medicine & Life Sciences
Metabolites Chemical Compounds
Rats Chemical Compounds
Liver Chemical Compounds
Pharmaceutical Preparations Medicine & Life Sciences
Toxicity Chemical Compounds
Enzymes Medicine & Life Sciences

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Profiles

No photo of W. Cai

W. Cai

Person: Academic

No photo of Giada Carta

Giada Carta

Person: Academic

20152019
Photo of Vidya Chandrasekaran
20182019
Photo of J.N.M. Commandeur
19872020
No photo of D. Da Costa Pereira
20062019

Research Output 1977 2020

4-(3-Aminoazetidin-1-yl)pyrimidin-2-amines as High-Affinity Non-imidazole Histamine H3 Receptor Agonists with in Vivo Central Nervous System Activity

Wágner, G., Mocking, T. A. M., Arimont, M., Provensi, G., Rani, B., Silva-Marques, B., Latacz, G., Da Costa Pereira, D., Karatzidou, C., Vischer, H. F., Wijtmans, M., Kieć-Kononowicz, K., De Esch, I. J. P. & Leurs, R., 1 Nov 2019, In : Journal of Medicinal Chemistry. 19 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Histamine H3 Receptors
Histamine Agonists
Amines
Central Nervous System
Cytochrome P-450 Enzyme System

A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1-Ligand Binding Free Energy Calculation

Rifai, E. A., van Dijk, M., Vermeulen, N. P. E., Yanuar, A. & Geerke, D. P., 11 Sep 2019, In : Journal of Chemical Information and Modeling. p. 4018-4033 16 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Sirtuin 1
Molecular mechanics
mechanic
Free energy
Ligands

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., 1 Sep 2019, In : Toxicology in Vitro. 59, p. 44-50 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Chemical Safety
Ontology
Toxicity
Education
Cosmetics

Applicability and performance of linear interaction energy based binding affinity calculation

Rifai, E. A., 2019, 183 p.

Research output: PhD ThesisPhD Thesis - Research VU, graduation VUAcademic

Open Access
File

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

Activities 1996 2017

  • 125 Lecture / Presentation
  • 1 Membership

AIMMS (Organisational unit)

Eko Aditya Rifai (Member)
2017 → …

Activity: MembershipAcademic

Demonstration projects for sustainable energy

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

Activity: Lecture / PresentationAcademic

Science, Business and Innovation

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

AIMMS NWO STAR grant antimicrobial research

Sandra Ortega Ugalde (Recipient), 2015

PrizeAcademic

Cefic Long-Range Research Initiative Award

Alice Limonciel (Recipient), 2015

PrizeAcademic

honors and awards

LPDP grant

Eko Aditya Rifai (Recipient), 2014

PrizeAcademic

grant

Lush Young Researcher Prize

Alice Limonciel (Recipient), 2013

PrizeAcademic

Safety testing
Animals

Otto Kraupp Preis

Anja 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