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
Rats Chemical Compounds
Metabolites 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

Photo of Liliana Capinha

Liliana Capinha

Person: Academic

No photo of Giada Carta

Giada Carta

Person: Academic

20152019
Photo of Vidya Chandrasekaran
Photo of J.N.M. Commandeur
19872019

Research Output 1977 2019

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

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

A protocol for one-step differentiation of human induced pluripotent stem cells into mature podocytes

Murphy, C., Feifel, E., Jennings, P., Gstraunthaler, G. & Wilmes, A., 1 Jan 2019, Cell-Based Assays Using iPSCs for Drug Development and Testing. Mandenius, C. F. & Ross, J. (eds.). Humana Press Inc., Vol. 1994. p. 93-99 7 p. (Methods in Molecular Biology; vol. 1994).

Research output: Chapter in Book / Report / Conference proceedingChapterAcademicpeer-review

Induced Pluripotent Stem Cells
Podocytes
Glomerular Filtration Barrier
Cell Culture Techniques
Epithelial Cells

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

Open Access
Knapsack
Drugs
Assignment
Charge
Molecules

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

Factors involved in the processing of 20S pre-ribosomal RNA

T.H. Geerlings (Speaker)
3 Dec 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