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Page 1
Interactive Flexible-Receptor Molecular Docking in Virtual Reality Using DockIT.
J Chem Inf Model. 2022 Dec 12;62(23):5855-5861. doi: 10.1021/acs.jcim.2c01274. Epub 2022 Nov 18.
J Chem Inf Model. 2022.
PMID: 36398912
Free PMC article.
Virtual Environment for Studying the Docking Interactions of Rigid Biomolecules with Haptics.
Iakovou G, Hayward S, Laycock SD.
Iakovou G, et al.
J Chem Inf Model. 2017 May 22;57(5):1142-1152. doi: 10.1021/acs.jcim.7b00051. Epub 2017 May 3.
J Chem Inf Model. 2017.
PMID: 28437105
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DockIT: a tool for interactive molecular docking and molecular complex construction.
Iakovou G, Alhazzazi M, Hayward S, Laycock SD.
Iakovou G, et al.
Bioinformatics. 2021 Apr 5;36(24):5698-5700. doi: 10.1093/bioinformatics/btaa1059.
Bioinformatics. 2021.
PMID: 33367508
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Kraft lignin fast (catalytic) pyrolysis for the production of high value-added chemicals (HVACs): A techno-economic screening of valorization pathways.
Iakovou G, Ipsakis D, Triantafyllidis KS.
Iakovou G, et al.
Environ Res. 2024 May 1;248:118205. doi: 10.1016/j.envres.2024.118205. Epub 2024 Jan 17.
Environ Res. 2024.
PMID: 38242421
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Adaptive GPU-accelerated force calculation for interactive rigid molecular docking using haptics.
Iakovou G, Hayward S, Laycock SD.
Iakovou G, et al.
J Mol Graph Model. 2015 Sep;61:1-12. doi: 10.1016/j.jmgm.2015.06.003. Epub 2015 Jun 24.
J Mol Graph Model. 2015.
PMID: 26186491
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Determination of locked interfaces in biomolecular complexes using Haptimol_RD.
Iakovou G, Laycock S, Hayward S.
Iakovou G, et al.
Biophys Physicobiol. 2016 Jul 14;13:97-103. doi: 10.2142/biophysico.13.0_97. eCollection 2016.
Biophys Physicobiol. 2016.
PMID: 27924263
Free PMC article.
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A real-time proximity querying algorithm for haptic-based molecular docking.
Iakovou G, Hayward S, Laycock S.
Iakovou G, et al.
Faraday Discuss. 2014;169:359-77. doi: 10.1039/c3fd00123g. Epub 2014 May 30.
Faraday Discuss. 2014.
PMID: 25341122
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