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Research Output 1983 2020

2007

What proportion of the EINECS list compounds can be covered by QSAR models?

Zvinavashe, E., Soffers, A. E. M. F., Murk, A. J., Vervoort, J. J. M., Freidig, A. & Rietjens, I. M. C. M., 2007, In : Chemico-Biological Interactions. 169, 2, p. 143

Research output: Contribution to journalAbstractAcademic

Quantitative Structure-Activity Relationship
Toxicity
Nitrobenzenes
Animals
United States Environmental Protection Agency
2006
360 Citations (Scopus)

A liquid chromatography-mass spectrometry-based metabolome database for tomato

Moco, S. I. A., Bino, R. J., Vorst, O. F. J., Verhoeven, H. A., de Groot, J. C. W., van Beek, T. A., Vervoort, J. J. M. & de Vos, C. H., 2006, In : Plant Physiology. 141, 4, p. 1205-1218

Research output: Contribution to journalArticleAcademicpeer-review

metabolome
Metabolome
Lycopersicon esculentum
Liquid Chromatography
liquid chromatography
24 Citations (Scopus)

Building-Up a comprehensive database of flavonoids based on nuclear magnetic resonance data.

Moco, S. I. A., Tseng, L., Spraul, M., Chen, Z. & Vervoort, J. J. M., 2006, In : Chromatographia. 64, 9/10, p. 503-508

Research output: Contribution to journalArticleAcademicpeer-review

Flavonoids
Magnetic Resonance Spectroscopy
Nuclear magnetic resonance
Databases
Molecules
221 Citations (Scopus)

Cladosporium fulvum Avr4 protects fungal cell walls against hydrolysis by plant chitinases accumulating during infection

van den Burg, H. A., Harrison, S. J., Joosten, M. H. A. J., Vervoort, J. J. M. & de Wit, P. J. G. M., 2006, In : Molecular Plant-Microbe Interactions. 19, 12, p. 1420-1430

Research output: Contribution to journalArticleAcademicpeer-review

Passalora fulva
Cladosporium
Chitinases
Chitin
chitinase
31 Citations (Scopus)

Consequences of quercetin methylation for its covalent glutathione and DNA adduct formation

van der Woude, H., Boersma, M. G., Alink, G. M., Vervoort, J. J. M. & Rietjens, I. M. C. M., 2006, In : Chemico-Biological Interactions. 160, 3, p. 193-203

Research output: Contribution to journalArticleAcademicpeer-review

Methylation
DNA Adducts
Quercetin
Glutathione
Reactive Oxygen Species

Functional analysis of Avr2 and Avr4 proteins of Cladosporium fulvum

de Wit, P. J. G. M., Brandwagt, B. F., Bolton, M. D., van den Burg, H. A., van Esse, H. P., Fradin, E. F., Gabriëls, S. H. E. J., Ellendorff, U., van der Hoorn, R. A. L., Jones, J. D. G., Joosten, M. H. A. J., van t Klooster, J. W., de Kock, M. J. D., Kruijt, M., Lindhout, P., Rooney, H. C. E., Stergiopoulos, I., Stulemeijer, I. J. E., Vervoort, J. J. M., Vossen, J. H. & 1 othersThomma, B. P. H. J., 2006, Biology of Plant-Microbe Interactions. Sánchez, F., Quinto, C., López-Lara, I. M. & Geiger, O. (eds.). St. Paul, USA: IS MPMI, Vol. 5. p. 35-41

Research output: Chapter in Book/Report/Conference proceedingConference paperAcademicpeer-review

101 Citations (Scopus)
Plant Extracts
Screening
Antioxidants
Nuclear magnetic resonance
Urtica dioica

Hyphenated Liquid Chromatography/Nuclear Magnetic Resonance Techniques

Exarchou, V., Gerothanassis, I. P., Vervoort, J. J. M. & van Beek, T. A., 2006, Natural Antioxidant Phenols. Sources, Structure-Activity Relationship, Current Trends in Analysis and Characterisation. Exarchou, V., Gerothanassis, I. P., Vervoort, J. & van Beek, T. A. (eds.). Research Signpost, p. 143-155

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

4 Citations (Scopus)

Mild hydrolysis of 2-trifluoromethylphenol: Kinetics, mechanism and environmental relevance

Reinscheid, U. M., Vervoort, J. J. M. & Zuilhof, H., 2006, In : Chemosphere. 65, 2, p. 318-323 5 p.

Research output: Contribution to journalArticleAcademicpeer-review

Dehalogenation
Anions
anion
hydrolysis
Hydrolysis

Multi-species tool for modeling acute toxicity of substituted mononitrobenzenes in aquatic systems

Zvinavashe, E., Murk, A. J., Vervoort, J. J. M., Soffers, A. E. M. F., Freidig, A. & Rietjens, I. M. C. M., 2006, Abstracts of the Dutch toxicology days, 13th-14th June 2006. Vol. 161. p. 175

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

NMR database of flavonoids

Moco, S. I. A., Chen, Y., Spraul, M., Tseng, L., Bino, R. J. & Vervoort, J. J. M., 2006, Book of Abstracts Fourth International Congress on Plant Metabolomics, Reading, UK. Reading, UK, p. 69-69

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

19 Citations (Scopus)

Quantum chemistry based QSAR prediction and priority setting for toxicity of nitrobenzenes on EINECS list

Zvinavashe, E., Murk, A. J., Vervoort, J. J. M., Soffers, A. E. M. F., Freidig, A. & Rietjens, I. M. C. M., 2006, In : Environmental Toxicology and Chemistry. 25, 9, p. 2313-2321 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

Nitrobenzenes
Quantum chemistry
Algae
Protozoa
Yeast
200 Citations (Scopus)

The Arabidopsis SOMATIC EMBRYOGENESIS RECEPTOR-LIKE KINASE1 protein complex includes BRASSINOSTEROID-INSENSITIVE1.

Karlova, R. B., Boeren, J. A., Russinova, E. T., Aker, J. C. M., Vervoort, J. J. M. & de Vries, S. C., 2006, In : The Plant Cell. 18, 3, p. 626-638

Research output: Contribution to journalArticleAcademicpeer-review

somatic embryogenesis
Arabidopsis
Embryonic Development
Brassinosteroids
receptors
2005
139 Citations (Scopus)

LC-NMR coupling technology: recent advancements and applications in natural products analysis

Exarchou, V., Krucker, M., van Beek, T. A., Vervoort, J. J. M., Gerothanassis, I. P. & Albert, K., 2005, In : Magnetic Resonance in Chemistry. 43, 9, p. 681-687

Research output: Contribution to journalReview articleAcademicpeer-review

Biological Products
Nuclear magnetic resonance
Phytochemicals
Cryogenics
Mass spectrometry

The interaction between Candida antarctica lipase and branched chain fatty acids: a kinetic and molecular modelling study

Franssen, M. C. R., Kamp, M. W., Alessandrini, L., Huibers, M. & Vervoort, J. J. M., 2005.

Research output: Contribution to conferencePosterProfessional

The interaction between Candida antarctica lipase and branched chain fatty acids: a kinetic and molecular modelling study

Franssen, M. C. R., Kamp, M. W., Alessandrini, L., Huibers, M. & Vervoort, J. J. M., 2005, Proceedings of Biotrans 2005. Delft, p. 137

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

2004
99 Citations (Scopus)
Plant Extracts
Flavonoids
Gas chromatography
Gas Chromatography
Mentha spicata
59 Citations (Scopus)

Binding of the AVR4 elicitor of Cladosporium fulvum to chitotriose units is facilitated by positive allosteric protein-protein interactions

van den Burg, H. A., Spronk, C. A. E. M., Boeren, S., Kennedy, M. A., Vissers, J. P. C., Vuister, G. W., de Wit, P. J. G. M. & Vervoort, J. J. M., 2004, In : Journal of Biological Chemistry. 279, 16, p. 16786-16796

Research output: Contribution to journalArticleAcademicpeer-review

Cladosporium
Chitinases
Chitin
Cell Wall
Cells

Fungal (a)virulence genes; evolution at a micro-scale

de Wit, P. J. G. M., Brandwagt, B. F., van den Burg, H. A., Gabriëls, S. H. E. J., de Kock, M. J. D., van der Hoorn, R. A. L., van t Klooster, J. W., Kruijt, M., Stulemeijer, I. J. E., Vossen, J. H., van den Berg-Velthuis, G. C. M., Clergeot, P. J. M., van Esse, H. P., Vervoort, J. J. M., Lindhout, W. H., Joosten, M. H. A. J. & Thomma, B. P. H. J., 2004, Book of Abstracts 7th European Conference on Fungal Genetics, Copenhagen, Denmark, 17-20 April 2004. p. 40

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

Open Access

Fungal (a)virulence genes and plant resistance genes; a rat race between Cladosporium fulvum and its host plant tomato

de Wit, P. J. G. M., Brandwagt, B. F., van den Burg, H. A., Gabriëls, S. H. E. J., de Kock, M. J. D., van der Hoorn, R. A. L., van t Klooster, J. W., Kruijt, M., Stulemeijer, I. J. E., Vossen, J. H., van den Berg-Velthuis, G. C. M., Clergeot, P. J. M., van Esse, H. P., Vervoort, J. J. M., Lindhout, W. H., Joosten, M. H. A. J. & Thomma, B. P. H. J., 2004, Book of Abstracts Plant Genomics European Meetings, Lyon, France, 22-25 September 2004. p. 44

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

129 Citations (Scopus)

Identification of 14 quercetin phase II mono- and mixed conjugates and their formation by rat and human phase II in vitro model systems.

van der Woude, H., Boersma, M. G., Vervoort, J. J. M. & Rietjens, I. M. C. M., 2004, In : Chemical Research in Toxicology. 17, 11, p. 1520-1530

Research output: Contribution to journalArticleAcademicpeer-review

Quercetin
Rats
Metabolites
Metabolism
Biological systems

Micro-evolution of (a)virulence genes of Cladosporium fulvum

de Wit, P. J. G. M., Brandwagt, B. F., van den Burg, H. A., Gabriëls, S. H. E. J., de Kock, M. J. D., van der Hoorn, R. A. L., van t Klooster, J. W., Kruijt, M., Stulemeijer, I. J. E., Vossen, J. H., van den Berg-Velthuis, G. C. M., Clergeot, P. J. M., van Esse, H. P., Vervoort, J. J. M., Lindhout, W. H., Joosten, M. H. A. J. & Thomma, B. P. H. J., 2004, Book of Abstracts CBS Centenary Symposium, Amsterdam, the Netherlands, 13-14 May 2004. p. 11

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

Molecular basis of plant response to microbial invasion

de Wit, P. J. G. M., Brandwagt, B. F., van den Burg, H. A., Gabriëls, S. H. E. J., van der Hoorn, R. A. L., de Jong, C. F., van t Klooster, J. W., de Kock, M. J. D., Kruijt, M., Luderer, R., Munnik, T., Stulemeijer, I. J. E., Thomma, B. P. H. J., Vervoort, J. J. M., Westerink, N. & Joosten, M. H. A. J., 2004, Proceedings of the 11th International Congress on Molecular Plant-Microbe Interactions, St.-Petersburg, Russia, 18-26 July 2003. Tikhonovich, I., Lugtenberg, B. & Provorov, N. (eds.). St. Paul, Minnesota, USA: International Society for Molecular Plant-Microbe Interactions, p. 203-207

Research output: Chapter in Book/Report/Conference proceedingConference paperAcademicpeer-review

127 Citations (Scopus)

The PAS fold: A redefinition of the PAS domain based upon structural prediction. A large-scale homology modelling study

Hefti, M. H., Francoijs, C. J. J., de Vries, S. C., Dixon, R. & Vervoort, J. J. M., 2004, In : European Journal of Biochemistry. 271, 6, p. 1198-1208

Research output: Contribution to journalArticleAcademicpeer-review

Databases
Proteins
Amino Acid Sequence
Protein Databases
Sequence Alignment
2003
56 Citations (Scopus)

Ab Initio QM/MM Modeling of the Hydroxylation Step in p-Hydroxybenzoate hydroxylase

Ridder, L., Harvey, J. N., Rietjens, I. M. C. M., Vervoort, J. J. M. & Mulholland, A. J., 2003, In : The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 107, p. 2118-2126

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
4-Hydroxybenzoate-3-Monooxygenase
Hydroxylation
Molecular mechanics
Quantum theory
quantum mechanics

A chitin-binding domain in the AVR4 elicitor of Cladosporium fulvum protects fungi against chitinase

van den Burg, H. A., Harrison, S., Spronk, C. A. E. M., Westerink, N., Boeren, J. A., Joosten, M. H. A. J., de Wit, P. J. G. M. & Vervoort, J. J. M., 2003, Volume of Abstracts: 11-th International Congress on Molecular Plant-Microbe Interactions, St.-Petersburg, Russia, 18-26 July 2003. St.-Petersburg, Russia: All-Russia Research Institute for Agricultural Microbiology, p. 250

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

30 Citations (Scopus)

A His-tag based immobilization method for the preparation and reconstitution of apoflavoproteins

Hefti, M. H., Milder, F. J., Boeren, J. A., Vervoort, J. J. M. & van Berkel, W. J. H., 2003, In : Biochimica et Biophysica Acta. General subjects. 1619, 2, p. 139-143

Research output: Contribution to journalArticleAcademicpeer-review

Immobilization
Apoproteins
Flavin-Adenine Dinucleotide
Buffers
Proteins
8 Citations (Scopus)

Conversion of 2-fluoromuconate to cis-dienelactone by purified enzymes from Rhodococcus opacus 1cp

Solyanikova, I. P., Moisseeva, O. V., Boeren, S., Boersma, M. G., Kolomytseva, M. P., Vervoort, J. J. M., Rietjens, I. M. C. M., Golovleva, L. A. & van Berkel, W. J. H., 2003, In : Applied and Environmental Microbiology. 69, 9, p. 5636-5642

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
chloromuconate cycloisomerase
phenol 2-monooxygenase
Rhodococcus opacus
dehalogenation
Trichosporon
88 Citations (Scopus)

Deflavination and reconstitution of proteins. Tackling fold and function

Hefti, M. H., Vervoort, J. J. M. & van Berkel, W. J. H., 2003, In : European Journal of Biochemistry. 270, p. 4227-4242

Research output: Contribution to journalReview articleAcademicpeer-review

Flavoproteins
Proteins
Flavins
Biological Phenomena
Mutagenesis
43 Citations (Scopus)
Pseudomonas fluorescens
catechol
Degradation
Catechol 2,3-Dioxygenase
degradation
5 Citations (Scopus)

Fluorene transformation by bacteria of the genus Rhodococcus

Finkelstein, Z. I., Baskunov, B. P., Golovlev, E. L., Vervoort, J. J. M., Rietjens, I. M. C. M., Baboshin, M. A. & Golovleva, L. A., 2003, In : Microbiology (Russian Federation). 72, 6, p. 660-665

Research output: Contribution to journalArticleAcademicpeer-review

Rhodococcus
Bacteria
Rhodnius
Sucrose
fluorene

Identification of phenolic metabolites in Lycopersicum esculentum fruits through LC-MS/MS and LC-NMR approaches

Moco, S. I. A., van Beek, T. A., de Vries, S. C., Bino, R. J., Vervoort, J. J. M. & Vos, R. H. R., 2003, Recent Advances in Food Analysis, Prague. [S.l]: S.n., p. 108

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

82 Citations (Scopus)

Inhibition of human glutathione S-transferase P1-1 by the flavonoid quercetin

van Zanden, J. J., Ben Hamman, O., van Iersel, M. L., Boeren, J. A., Cnubben, N. H. P., Lo Bello, M., Vervoort, J. J. M., van Bladeren, P. J. & Rietjens, I. M. C. M., 2003, In : Chemico-Biological Interactions. 145, 2, p. 139-148

Research output: Contribution to journalArticleAcademicpeer-review

Glutathione S-Transferase pi
Quercetin
Glutathione Transferase
Flavonoids
Peptide Fragments
183 Citations (Scopus)

LC-UV-solid-phase extraction-NMR-MS combined with a cryogenic flow probe and its application to the identification of compounds present in Greek oregano

Exarchou, V., Godejohann, M., van Beek, T. A., Gerothanassis, I. P. & Vervoort, J. J. M., 2003, In : Analytical Chemistry. 75, 22, p. 6288-6294

Research output: Contribution to journalArticleAcademicpeer-review

Cryogenics
Nuclear magnetic resonance
Biological Products
Apigenin
Monoterpenes

LC-UV-SPE-NMR-MS with a new cryoflowprobe: rapid identification of bioactive compounds in complex mixtures using high sensitivity combined with multiple trapping techniques

Vervoort, J. J. M., Exarchou, V., Godejohann, M., van Beek, T. A., Gerothanassis, I. P. & Boeren, J. A., 2003, Recent Advances in Food Analysis, Prague. [S.l]: S.n., p. 157

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

LC-UV-SPE-NMR-MS with a new cryoflowprobe: rapid identification of compounds in complex mixtures using multiple trapping techniques and unprecedented NMR sensitivity

Vervoort, J. J. M., Exarchou, V., Godejohann, M., van Beek, T. A., Gerothanssis, I. & Boeren, J. A., 2003, Second International Conference on Plant Metabolomics, Potsdam. [S.l]: S.n., p. 49

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

Molecular basis of plant response to microbial invasion

de Wit, P. J. G. M., Brandwagt, B. F., van den Burg, H. A., Gabriëls, S. H. E. J., de Kock, M. J. D., van der Hoorn, R. A. L., de Jong, C. F., van t Klooster, J. W., Kruijt, M., Westerink, N., Luderer, R., Vervoort, J. J. M., Lindhout, W. H. & Joosten, M. H. A. J., 2003, Volume of Abstracts: 11-th International Congress on Molecular Plant-Microbe Interactions, St.-Petersburg, Russia, 18-26 July 2003. St.-Petersburg, Russia: All-Russia Research Institute for Agricultural Microbiology, p. 19

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

78 Citations (Scopus)

Natural disulfide bond-disrupted mutants of AVR4 of the tomato pathogen Cladosporium fulvum are sensitive to proteolysis, circumvent Cf-4-mediated resistance, but retain their chitin binding ability.

van den Burg, H. A., Westerink, N., Francoijs, C. J. J., Roth, R., Woestenenk, E. A., Boeren, J. A., de Wit, P. J. G. M., Joosten, M. H. A. J. & Vervoort, J. J. M., 2003, In : Journal of Biological Chemistry. 278, 30, p. 27340-27346

Research output: Contribution to journalArticleAcademicpeer-review

Proteolysis
Cladosporium
Chitin
Pathogens
Lycopersicon esculentum
55 Citations (Scopus)

Quenching of quercetin quinone/quinone methides by different thiolate scavengers: stability and reversibility of conjugate formation

Awad, H. M., Boersma, M. G., Boeren, J. A., van Bladeren, P. J., Vervoort, J. J. M. & Rietjens, I. M. C. M., 2003, In : Chemical Research in Toxicology. 16, 7, p. 822-831

Research output: Contribution to journalArticleAcademicpeer-review

Quercetin
Sulfhydryl Compounds
Quenching
Flavonoids
Biological systems

Studies towards the Intrinsic Function of the AVR4 and AVR9 Elicitors of the Fungal Tomato Pathogen Cladosporium fulvum

van den Burg, H. A., 2003, [S.I.]: S.n.. 167 p.

Research output: Thesisinternal PhD, WUAcademic

Open Access
Passalora fulva
disulfide bonds
chitin
tomatoes
pathogens

The interaction between Candida antarctica lipase and branched chain fatty acids: a kinetic and molecular modelling study

Franssen, M. C. R., van der Kamp, M., Huibers, M. & Vervoort, J. J. M., 2003, In : Chemicke Listy. 97, p. 389-389 1 p.

Research output: Contribution to journalAbstractAcademic

The Nifl PAS domain: Insight into its structure and function

Hefti, M. H., 2003, [S.I.]: S.n.. 116 p.

Research output: Thesisinternal PhD, WUAcademic

Open Access
Ammonia
Nitrogen
Azotobacter vinelandii
Flavoproteins
Signal Transduction
2002
32 Citations (Scopus)

An approximately 400 kDa membrane-associated complex that contains one molecule of the resistance protein Cf-4

Rivas, S., Mucyn, T., van den Burg, H. A., Vervoort, J. & Jones, J. D., 2002, In : The Plant Journal. 29, 6, p. 783-796

Research output: Contribution to journalArticleAcademicpeer-review

Membranes
Proteins
proteins
Tobacco
Cell Culture Techniques
86 Citations (Scopus)

Identification of o-quinone/quinone methide metabolites of quercetin in a cellular in vitro system

Awad, H. M., Boersma, M. G., Boeren, S., van der Woude, H., van Zanden, J., van Bladeren, P. J., Vervoort, J. & Rietjens, I. M. C. M., 2002, In : FEBS Letters. 520, 1-3, p. 30-34

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
Quercetin
Metabolites
Melanoma
Cells
Monophenol Monooxygenase
7 Citations (Scopus)

Isolation and characterization of a microperoxidase-8 with a modified histidine axial ligand

Primus, J. L., Boeren, S., Nielen, M. W. F., Vervoort, J., Banci, L. & Rietjens, I. M. C. M., 2002, In : Journal of Biological Inorganic Chemistry. 7, 7-8, p. 870-878

Research output: Contribution to journalArticleAcademicpeer-review

Histidine
Protons
Oxygen
Ligands
Catalysts

Manipulating signal transduction pathways in plants leading to programmed cell death

de Wit, P. J. G. M., Brandwagt, B. F., van den Burg, H. A., de Kock, M. J. D., van der Hoorn, R. A. L., de Jong, C. F., van 't Klooster, J., Kruijt, M., Luderer, R., Westerink, N., Lindhout, P., Vervoort, J. J. M. & Joosten, M. H. A. J., 2002, Book of Abstracts 9th Netherlands Biotechnology Congress, Ede, The Netherlands, 14-15 March 2002. - Wageningen, The Netherlands : Netherlands Biotechnological Society, Wageningen University, Food & Bioprocess Engineering Group, 2002. p. 43

Research output: Chapter in Book/Report/Conference proceedingAbstractAcademic

Molecular basis of co-evolution between Cladosporium fulvum and tomato

de Wit, P. J. G. M., Brandwagt, B. F., van den Burg, H. A., Cai, X., van der Hoorn, R. A. L., de Jong, C. F., van 't Klooster, J., de Kock, M. J. D., Kruijt, M., Lindhout, W. H., Luderer, R., Takken, F. L. W., Westerink, N., Vervoort, J. J. M. & Joosten, M. H. A. J., 2002, Biology of Plant-Microbe Interactions: Vol. 3. Leong, S. A., Allen, C. & Triplett, E. W. (eds.). St. Paul, Minnesota, USA: Int. Soc. for Molecular Plant-Microbe Interactions, p. 175-180

Research output: Chapter in Book/Report/Conference proceedingConference paperAcademic

Preparation and reconstitution of apoflavoproteins using a His-tag based immobilization method

Hefti, M. H., Milder, F. J., Boeren, S., Vervoort, J. & van Berkel, W. J. H., 2002, Flavins and Flavoproteins 2002. Perham, R., Chapman, S. & Scrutton, N. (eds.). p. 969-973

Research output: Chapter in Book/Report/Conference proceedingChapterAcademic

QM/MM free energy simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide

Ridder, L., Rietjens, I. M. C. M., Vervoort, J. & Mulholland, A. J., 2002, In : Journal of the American Chemical Society. 124, p. 9926-9936

Research output: Contribution to journalArticleAcademicpeer-review

66 Citations (Scopus)

Quantum Mechanical/Molecular Mechanical Free Energy Simulations of the Glutathione S-Transferase (M1-1) Reaction with Phenanthrene 9,10-Oxide

Ridder, L., Rietjens, I. M. C. M., Vervoort, J. J. M. & Mulholland, A. J., 2002, In : Journal of the American Chemical Society. 124, 33, p. 9926-9936

Research output: Contribution to journalArticleAcademicpeer-review

Free energy
Isoenzymes
Epoxy Compounds
Oxides
Glutathione