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KNIME PLANTS
A node for the KNIME workflow system that allows you to use the PLANTS protein-ligand docking algorithm.
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Description
- For cheminformaticians who want to combine protein-ligand docking with other KNIME workflow steps
- Makes it possible to generate a PLANTS config file, run the PLANTS executable and ingest the PLANTS output from a KNIME workflow
- The KNIME nodes come bundled with a PLANTS executable, so it does not have to be installed by each user separately
- Used in workflows to perform an all-versus-all docking of all ligand-protein complexes of the Kinase and GPRC family in the protein data bank
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Reference papers
- 1.Author(s): Albert J. Kooistra, Márton Vass, Ross McGuire, Rob Leurs, Iwan J. P. de Esch, Gert Vriend, Stefan Verhoeven, Chris de GraafPublished in ChemMedChem by Wiley in 2018, page: 614-62610.1002/cmdc.201700754
- 2.Author(s): Ross McGuire, Stefan Verhoeven, Márton Vass, Gerrit Vriend, Iwan J. P. de Esch, Scott J. Lusher, Rob Leurs, Lars Ridder, Albert J. Kooistra, Tina Ritschel, Chris de GraafPublished in Journal of Chemical Information and Modeling by American Chemical Society (ACS) in 2017, page: 115-12110.1021/acs.jcim.6b00686
Mentions
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- 3.Author(s): Albert J. Kooistra, Andrea VolkamerPublished in Annual Reports in Medicinal Chemistry, Platform Technologies in Drug Discovery and Validation by Elsevier in 2017, page: 197-23610.1016/bs.armc.2017.08.001
- 4.Author(s): Márton Vass, Albert J. Kooistra, Stefan Verhoeven, David Gloriam, Iwan J. P. de Esch, Chris de GraafPublished in Methods in Molecular Biology, Computational Methods for GPCR Drug Discovery by Springer New York in 2017, page: 73-11310.1007/978-1-4939-7465-8_4
- 1.Author(s): Powsali Ghosh, Ashok Kumar, Sushil Kumar SinghPublished in Journal of Computational Chemistry by Wiley in 202510.1002/jcc.70030
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- 14.Author(s): Adnane Aouidate, Adib Ghaleb, Samir Chtita, Mohammed Aarjane, Abdellah Ousaa, Hamid Maghat, Abdelouahid Sbai, M’barek Choukrad, Mohammed Bouachrine, Tahar LakhlifiPublished in Journal of Biomolecular Structure and Dynamics by Informa UK Limited in 2020, page: 4522-453510.1080/07391102.2020.1779130
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- 1.Author(s): Liting Ren, Yitian Bai, Chenyu Shi, Ying Tan, Shuyan Zhao, Qi Li, Daniel J Macqueen, Shikai LiuPublished by Cold Spring Harbor Laboratory in 202410.1101/2024.11.07.622431
- 2.Author(s): Babs Briels, Chris de Graaf, Andreas BenderPublished in Structural Biology in Drug Discovery by Wiley in 2020, page: 53-7710.1002/9781118681121.ch3
- 3.Author(s): Valerie J. GilletPublished in Biomolecular and Bioanalytical Techniques by Wiley in 2019, page: 17-3610.1002/9781119483977.ch2
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