Zobrazeno 1 - 10
of 123
pro vyhledávání: '"Daan P, Geerke"'
Autor:
Evan E. Bolton, Haralambos Sarimveis, Egon L. Willighagen, Hervé Ménager, Susanna-Assunta Sansone, Nina Jeliazkova, Antony J. Williams, Sirarat Sarntivijai, Emma L. Schymanski, Rob Stierum, Karel Berka, Pascal Kahlem, Jos Bessems, Pavel Babica, Montserrat Cases, Ludek Blaha, Hristo Aladjov, Reza Aalizadeh, Karine Audouze, Kasia Arturi, Alasdair Gray, Roland Grafström, Daan P. Geerke, Henner Hollert, Ola Spjuth, John M. Hancock, Kirtan Dave, Dimitrios Ε. Damalas, Thomas Exner, Marco Dilger, Boï Kone, Todor Kondic, Uko Maran, Steffen Neumann, Iseult Lynch, Fabien Jourdan, Philippe Rocca-Serra, Ferran Sanz, Danyel Jennen, Jos Kleinjans, Jana Klanova, Reza M. Salek, Sylvie Remy, Tobias Schulze, Brett Sallach, Penny Nymark, Sergio Martinez Cuesta, Noelia Ramirez, Herbert Oberacher, Craig E. Wheelock, Gerard J.P. van Westen, Barbara Zdrazil, Hilda Witters, Jonathan Tedds, Marvin Martens, Jaroslav Slobodnik, Ralf J.M. Weber, Nikolaos Thomaidis, Anže Županič, Chris T. Evelo
Publikováno v:
F1000Research, Vol 10 (2023)
Toxicology has been an active research field for many decades, with academic, industrial and government involvement. Modern omics and computational approaches are changing the field, from merely disease-specific observational models into target-speci
Externí odkaz:
https://doaj.org/article/e59322df245a4fc28be0854e2252ef78
Autor:
Eva Habjan, Vien Q. T. Ho, James Gallant, Gunny van Stempvoort, Kin Ki Jim, Coen Kuijl, Daan P. Geerke, Wilbert Bitter, Alexander Speer
Publikováno v:
Disease Models & Mechanisms, Vol 14, Iss 12 (2021)
Finding new anti-tuberculosis compounds with convincing in vivo activity is an ongoing global challenge to fight the emergence of multidrug-resistant Mycobacterium tuberculosis isolates. In this study, we exploited the medium-throughput capabilities
Externí odkaz:
https://doaj.org/article/39606835a70f4e1685863ba3b6a406f5
Publikováno v:
Algorithms for Molecular Biology, Vol 14, Iss 1, Pp 1-10 (2019)
Abstract A key factor in computational drug design is the consistency and reliability with which intermolecular interactions between a wide variety of molecules can be described. Here we present a procedure to efficiently, reliably and automatically
Externí odkaz:
https://doaj.org/article/f62d9c28f3f74c72a76a1a758d6078e7
Autor:
Minglong Liu, Ryoji Yoshisada, Avand Amedi, Antonius J. P. Hopstaken, Mirte N. Pascha, Cornelis A. M. de Haan, Daan P. Geerke, David A. Poole, Seino A. K. Jongkees
Publikováno v:
Liu, M, Yoshisada, R, Amedi, A, Hopstaken, A J P, Pascha, M N, de Haan, C A M, Geerke, D P, Poole, D A & Jongkees, S A K 2023, ' An Efficient, Site-Selective and Spontaneous Peptide Macrocyclisation During in vitro Translation ', Chemistry-A European Journal, vol. 29, no. 14, e202203923, pp. 1-9 . https://doi.org/10.1002/chem.202203923
Chemistry-A European Journal, 29(14):e202203923, 1-9. Wiley-VCH Verlag
Chemistry-A European Journal, 29(14):e202203923, 1-9. Wiley-VCH Verlag
Macrocyclisation provides a means of stabilising the conformation of peptides, often resulting in improved stability, selectivity, affinity, and cell permeability. In this work we report a new approach to peptide macrocyclisation using a cyanobenzoth
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::906dac99d3a93a557f6fa16dc2ff109f
https://research.vu.nl/en/publications/1737dd4e-b9eb-4144-8ca7-6920dbf5f53f
https://research.vu.nl/en/publications/1737dd4e-b9eb-4144-8ca7-6920dbf5f53f
Publikováno v:
Frontiers in Molecular Biosciences, Vol 7 (2020)
The linear interaction energy (LIE) approach is an end–point method to compute binding affinities. As such it combines explicit conformational sampling (of the protein-bound and unbound-ligand states) with efficiency in calculating values for the p
Externí odkaz:
https://doaj.org/article/64b02770dffb46aa92727a2d3e6f1518
Autor:
Luigi Capoferri, Marc van Dijk, Ariën S. Rustenburg, Tsjerk A. Wassenaar, Derk P. Kooi, Eko A. Rifai, Nico P. E. Vermeulen, Daan P. Geerke
Publikováno v:
Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-13 (2017)
Abstract Background Computational methods to predict binding affinities of small ligands toward relevant biological (off-)targets are helpful in prioritizing the screening and synthesis of new drug candidates, thereby speeding up the drug discovery p
Externí odkaz:
https://doaj.org/article/f324e6f6ad6243c5bcd1e352d07334c6
Autor:
Daniël Verhoef, Koen M. Visscher, C. Ruben Vosmeer, Ka Lei Cheung, Pieter H. Reitsma, Daan P. Geerke, Mettine H. A. Bos
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-10 (2017)
A major drawback in the clinical use of the oral anticoagulants that directly inhibit factor Xa in order to prevent blood clot formation is the potential for life threatening bleeding events. Here the authors describe factor Xa variants that are refr
Externí odkaz:
https://doaj.org/article/b141be2853c5434db46bb976a6a0ac12
Autor:
Karla Frydenvang, Marlies C A Verkade-Vreeker, Floor Dohmen, Jan N M Commandeur, Maria Rafiq, Osman Mirza, Flemming Steen Jørgensen, Daan P Geerke
Publikováno v:
PLoS ONE, Vol 14, Iss 5, p e0217292 (2019)
The bacterial Cytochrome P450 (CYP) BM3 (CYP102A1) is one of the most active CYP isoforms. BM3 mutants can serve as a model for human drug-metabolizing CYPs and/or as biocatalyst for selective formation of drug metabolites. Hence, molecular and compu
Externí odkaz:
https://doaj.org/article/4ca0b68792244c2ca63e3d37d9ec192e
Autor:
Ida de Vries, Danique Ammerlaan, Tatjana Heidebrecht, Patrick H. N. Celie, Daan P. Geerke, Robbie P. Joosten, Anastassis Perrakis
Base-J (β-D-Glucopyranosyloxymethyluracil) is a modified DNA nucleotide that replaces 1% of thymine in kinetoplastid flagellates. The biosynthesis and maintenance of base-J depends on the base-J Binding Protein 1 (JBP1), that has a thymidine hydroxy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b4785f11a61fea515b902704d2b573e
https://doi.org/10.1101/2023.01.23.525147
https://doi.org/10.1101/2023.01.23.525147
Autor:
Felix M. Paulussen, Gina K. Schouten, Carolin Moertl, Jolanda Verheul, Irma Hoekstra, Gregory M. Koningstein, George H. Hutchins, Aslihan Alkir, Rosa A. Luirink, Daan P. Geerke, Peter van Ulsen, Tanneke den Blaauwen, Joen Luirink, Tom N. Grossmann
Publikováno v:
Journal of the American Chemical Society. 144(33)
The use of antibiotics is threatened by the emergence and spread of multidrug-resistant strains of bacteria. Thus, there is a need to develop antibiotics that address new targets. In this respect, the bacterial divisome, a multi-protein complex centr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2e3c685c7ec6cad6f37fb845aeb2ae85
https://pubmed.ncbi.nlm.nih.gov/35945166
https://pubmed.ncbi.nlm.nih.gov/35945166