Albert J. Kooistra
Associate Professor
Pharmaceutical Informatics
Universitetsparken 2
2100 København Ø
- 2010
Electron density fingerprints (EDprints): Virtual screening using assembled information of electron density
Kooistra, Albert J., Binsl, T. W., Van Beek, J. H. G. M., De Graaf, C. & Heringa, J., 25 Oct 2010, In: Journal of Chemical Information and Modeling. 50, 10, p. 1772-1780 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2011
Crystal structure-based virtual screening for fragment-like ligands of the human histamine H 1 receptor
De Graaf, C., Kooistra, Albert J., Vischer, H. F., Katritch, V., Kuijer, M., Shiroishi, M., Iwata, S., Shimamura, T., Stevens, R. C., De Esch, I. J. P. & Leurs, R., 8 Dec 2011, In: Journal of Medicinal Chemistry. 54, 23, p. 8195-8206 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
Molecular determinants of ligand binding modes in the histamine H 4 receptor: Linking ligand-based three-dimensional quantitative structure-activity relationship (3D-QSAR) models to in silico guided receptor mutagenesis studies
Istyastono, E. P., Nijmeijer, S., Lim, H. D., Van De Stolpe, A., Roumen, L., Kooistra, Albert J., Vischer, H. F., De Esch, I. J. P., Leurs, R. & De Graaf, C., 8 Dec 2011, In: Journal of Medicinal Chemistry. 54, 23, p. 8136-8147 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2012
Identification of novel α7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric α7 receptor ligand binding domain
Akdemir, A., Edink, E., Thompson, A. J., Lummis, S. C. R., Kooistra, Albert J., De Graaf, C. & De Esch, I. J. P., 1 Oct 2012, In: Bioorganic and Medicinal Chemistry. 20, 19, p. 5992-6002 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
Virtual fragment screening: Discovery of histamine H3 receptor ligands using ligand-based and protein-based molecular fingerprints
Sirci, F., Istyastono, E. P., Istyastono, E. P., Vischer, H. F., Kooistra, Albert J., Nijmeijer, S., Kuijer, M., Wijtmans, M., Mannhold, R., Leurs, R., De Esch, I. J. P. & De Graaf, C., 21 Dec 2012, In: Journal of Chemical Information and Modeling. 52, 12, p. 3308-3324 17 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2013
Small and colorful stones make beautiful mosaics: Fragment-based chemogenomics
De Graaf, C., Vischer, H. F., De Kloe, G. E., Kooistra, Albert J., Nijmeijer, S., Kuijer, M., Verheij, M. H. P., England, P. J., Van Muijlwijk-Koezen, J. E., Leurs, R. & De Esch, I. J. P., 1 Apr 2013, In: Drug Discovery Today. 18, 7-8, p. 323-330 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
Discovery of novel Trypanosoma brucei phosphodiesterase B1 inhibitors by virtual screening against the unliganded TbrPDEB1 crystal structure
Jansen, C., Wang, H., Kooistra, Albert J., De Graaf, C., Orrling, K. M., Tenor, H., Seebeck, T., Bailey, D., De Esch, I. J. P., Ke, H. & Leurs, R., 14 Mar 2013, In: Journal of Medicinal Chemistry. 56, 5, p. 2087-2096 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
A structural chemogenomics analysis of aminergic GPCRs: Lessons for histamine receptor ligand design
Kooistra, Albert J., Kuhne, S., De Esch, I. J. P., Leurs, R. & De Graaf, C., 1 Sep 2013, In: British Journal of Pharmacology. 170, 1, p. 101-126 26 p.Research output: Contribution to journal › Journal article › Research › peer-review
From heptahelical bundle to hits from the haystack: Structure-based virtual screening for GPCR ligands
Kooistra, Albert J., Roumen, L., Leurs, R., De Esch, I. J. P. & De Graaf, C., 11 Feb 2013, G Protein Coupled ReceptorsModeling, Activation, Interactions and Virtual Screening. p. 279-336 58 p. (Methods in Enzymology, Vol. 522).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
Mapping histamine H4 receptor-ligand binding modes
Schultes, S., Nijmeijer, S., Engelhardt, H., Kooistra, Albert J., Vischer, H. F., De Esch, I. J. P., Haaksma, E. E. J., Leurs, R. & De Graaf, C., 1 Jan 2013, In: MedChemComm. 4, 1, p. 193-204 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2014
From three-dimensional GPCR structure to rational ligand discovery
Kooistra, Albert J., Leurs, R., De Esch, I. J. P. & Graaf, C. D., 1 Jan 2014, G Protein-Coupled Receptors - Modeling and Simulation. Springer New York LLC, p. 129-157 29 p. (Advances in Experimental Medicine and Biology, Vol. 796).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
The Receptor Concept in 3D: From Hypothesis and Metaphor to GPCR–Ligand Structures
Kooistra, Albert J., de Graaf, C. & Timmerman, H., 1 Jan 2014, In: Neurochemical Research. 39, 10, p. 1850-1861 12 p.Research output: Contribution to journal › Review › Research › peer-review
KLIFS: A knowledge-based structural database to navigate kinase-ligand interaction space
Van Linden, O. P. J., Kooistra, Albert J., Leurs, R., De Esch, I. J. P. & De Graaf, C., 23 Jan 2014, In: Journal of Medicinal Chemistry. 57, 2, p. 249-277 29 p.Research output: Contribution to journal › Review › Research › peer-review
- 2015
The viral G protein-coupled receptor ORF74 hijacks β-arrestins for endocytic trafficking in response to human chemokines
De Munnik, S. M., Kooistra, Albert J., Van Offenbeek, J., Nijmeijer, S., De Graaf, C., Smit, M. J., Leurs, R. & Vischer, H. F., 20 Apr 2015, In: PLOS ONE. 10, 4, e0124486.Research output: Contribution to journal › Journal article › Research › peer-review
Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H4 receptor
Istyastono, E. P., Istyastono, E. P., Kooistra, Albert J., Vischer, H. F., Kuijer, M., Roumen, L., Nijmeijer, S., Smits, R. A., De Esch, I. J. P., Leurs, R. & De Graaf, C., 1 Jun 2015, In: MedChemComm. 6, 6, p. 1003-1017 15 p.Research output: Contribution to journal › Journal article › Research › peer-review
Structure-based prediction of g-protein-coupled receptor ligand function: A β-adrenoceptor case study
Kooistra, Albert J., Leurs, R., De Esch, I. J. P. & De Graaf, C., 26 May 2015, In: Journal of Chemical Information and Modeling. 55, 5, p. 1045-1061 17 p.Research output: Contribution to journal › Journal article › Research › peer-review
Analyzing multitarget activity landscapes using protein-ligand interaction fingerprints: Interaction cliffs
Méndez-Lucio, O., Kooistra, Albert J., Graaf, C. D., Bender, A. & Medina-Franco, J. L., 23 Feb 2015, In: Journal of Chemical Information and Modeling. 55, 2, p. 251-262 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
Combinatorial consensus scoring for ligand-based virtual fragment screening: A comparative case study for serotonin 5-HT3A, histamine H1, and Histamine H4 receptors
Schultes, S., Kooistra, Albert J., Vischer, H. F., Nijmeijer, S., Haaksma, E. E. J., Leurs, R., De Esch, I. J. P. & De Graaf, C., 26 May 2015, In: Journal of Chemical Information and Modeling. 55, 5, p. 1030-1034 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2016
PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design
Jansen, C., Kooistra, Albert J., Kanev, G. K., Leurs, R., De Esch, I. J. P. & De Graaf, C., 11 Aug 2016, In: Journal of Medicinal Chemistry. 59, 15, p. 7029-7065 37 p.Research output: Contribution to journal › Review › Research › peer-review
Function-specific virtual screening for GPCR ligands using a combined scoring method
Kooistra, Albert J., Vischer, H. F., McNaught-Flores, D., Leurs, R., De Esch, I. J. P. & De Graaf, C., 24 Jun 2016, In: Scientific Reports. 6, 28288.Research output: Contribution to journal › Journal article › Research › peer-review
KLIFS: A structural kinase-ligand interaction database
Kooistra, Albert J., Kanev, G. K., Van Linden, O. P. J., Leurs, R., De Esch, I. J. P. & De Graaf, C., 1 Jan 2016, In: Nucleic Acids Research. 44, D1, p. D365-D371Research output: Contribution to journal › Journal article › Research › peer-review
Identification of Ligand Binding Hot Spots of the Histamine H1 Receptor following Structure-Based Fragment Optimization
Kuhne, S., Kooistra, Albert J., Bosma, R., Bortolato, A., Wijtmans, M., Vischer, H. F., Mason, J. S., De Graaf, C., De Esch, I. J. P. & Leurs, R., 13 Oct 2016, In: Journal of Medicinal Chemistry. 59, 19, p. 9047-9061 15 p.Research output: Contribution to journal › Journal article › Research › peer-review
Molecular interaction fingerprint approaches for GPCR drug discovery
Vass, M., Kooistra, Albert J., Ritschel, T., Leurs, R., de Esch, I. J. & de Graaf, C., 1 Oct 2016, In: Current Opinion in Pharmacology. 30, p. 59-68 10 p.Research output: Contribution to journal › Review › Research › peer-review
- 2017
Structural Chemogenomics Databases to Navigate Protein-Ligand Interaction Space
Kanev, G. K., Kooistra, Albert J., de Esch, I. J. P. & de Graaf, C., 3 Jun 2017, The Future of Drug Discovery. Elsevier Science Inc., Vol. 1-8. p. 444-471 28 p.Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
Kinase-Centric Computational Drug Development
Kooistra, Albert J. & Volkamer, A., 1 Jan 2017, Annual Reports in Medicinal Chemistry. Academic Press, p. 263-299 37 p. (Annual Reports in Medicinal Chemistry, Vol. 50).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
ID: 196033213
Most downloads
-
113
downloads
GPCRdb in 2021: integrating GPCR sequence, structure and function
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
67
downloads
The Landscape of Atypical and Eukaryotic Protein Kinases
Research output: Contribution to journal › Review › Research › peer-review
-
63
downloads
KLIFS: an overhaul after the first 5 years of supporting kinase research
Research output: Contribution to journal › Journal article › Research › peer-review
Published