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Molecular modelling of compounds used for corrosion inhibition studies: a review
Ebenso, Eno E, Verma, Chandrabhan, Olasunkanmi, Lukman O, Akpan, Ekemini D, Verma, Dakeshwar Kumar, Lgaz, Hassane, Guo, Lei, Kaya, Savas, Quraishi, M. A
Published in Physical chemistry chemical physics : PCCP (22.09.2021)
Published in Physical chemistry chemical physics : PCCP (22.09.2021)
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Corticosteroid cross‐reactivity: clinical and molecular modelling tools
Baeck, M., Chemelle, J. A., Goossens, A., Nicolas, J. F., Terreux, R.
Published in Allergy (Copenhagen) (01.10.2011)
Published in Allergy (Copenhagen) (01.10.2011)
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Self-assembly, interfacial properties, interactions with macromolecules and molecular modelling and simulation of microbial bio-based amphiphiles (biosurfactants). A tutorial review
Baccile, Niki, Seyrig, Chloé, Poirier, Alexandre, Alonso-de Castro, Silvia, Roelants, Sophie L. K. W, Abel, Stéphane
Published in Green chemistry : an international journal and green chemistry resource : GC (09.06.2021)
Published in Green chemistry : an international journal and green chemistry resource : GC (09.06.2021)
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Insights into the interaction of human serum albumin with ionic liquids – Thermodynamic, spectroscopic and molecular modelling studies
Kowalska, Dorota, Dołżonek, Joanna, Żamojć, Krzysztof, Samsonov, Sergey A., Maszota-Zieleniak, Martyna, Makowska, Joanna, Stepnowski, Piotr, Białk-Bielińska, Anna, Wyrzykowski, Dariusz
Published in International journal of biological macromolecules (30.09.2023)
Published in International journal of biological macromolecules (30.09.2023)
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N-glycosylation state of TRPM8 protein revealed by terahertz spectroscopy and molecular modelling
Mernea, Maria, Ulăreanu, Roxana, Călboreanu, Octavian, Chirițoiu, Gabriela, Cucu, Dana, Mihăilescu, Dan F.
Published in Biochimica et biophysica acta. General subjects (01.07.2020)
Published in Biochimica et biophysica acta. General subjects (01.07.2020)
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Geno3D: automatic comparative molecular modelling of protein
Combet, Christophe, Jambon, Martin, Deléage, Gilbert, Geourjon, Christophe
Published in Bioinformatics (01.01.2002)
Published in Bioinformatics (01.01.2002)
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The multifunctional poly(A)-binding protein (PABP) 1 is subject to extensive dynamic post-translational modification, which molecular modelling suggests plays an important role in co-ordinating its activities
Brook, Matthew, McCracken, Lora, Reddington, James P, Lu, Zhi-Liang, Morrice, Nicholas A, Gray, Nicola K
Published in Biochemical journal (01.02.2012)
Published in Biochemical journal (01.02.2012)
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Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from Mycobacterium tuberculosis: A Crystallographic and Molecular Modelling Study
Galy, Romain, Ballereau, Stéphanie, Génisson, Yves, Mourey, Lionel, Plaquevent, Jean-Christophe, Maveyraud, Laurent
Published in Pharmaceuticals (Basel, Switzerland) (08.12.2021)
Published in Pharmaceuticals (Basel, Switzerland) (08.12.2021)
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Meta-analysis of 542,934 subjects of European ancestry identifies new genes and mechanisms predisposing to refractive error and myopia
Hysi, Pirro G., Choquet, Hélène, Khawaja, Anthony P., Wojciechowski, Robert, Tedja, Milly S., Yin, Jie, Simcoe, Mark J., Patasova, Karina, Mahroo, Omar A., Thai, Khanh K., Cumberland, Phillippa M., Melles, Ronald B., Verhoeven, Virginie J. M., Vitart, Veronique, Segre, Ayellet, Stone, Richard A., Wareham, Nick, Hewitt, Alex W., Mackey, David A., Klaver, Caroline C. W., MacGregor, Stuart, Khaw, Peng T., Foster, Paul J., Guggenheim, Jeremy A., Rahi, Jugnoo S., Jorgenson, Eric, Hammond, Christopher J.
Published in Nature genetics (01.04.2020)
Published in Nature genetics (01.04.2020)
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Molecular modelling identification of phytocompounds from selected African botanicals as promising therapeutics against druggable human host cell targets of SARS-CoV-2
Uhomoibhi, John Omo-Osagie, Shode, Francis Oluwole, Idowu, Kehinde Ademola, Sabiu, Saheed
Published in Journal of molecular graphics & modelling (01.07.2022)
Published in Journal of molecular graphics & modelling (01.07.2022)
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Insulin receptor substrate in brain-enriched exosomes in subjects with major depression: on the path of creation of biosignatures of central insulin resistance
Nasca, Carla, Dobbin, Josh, Bigio, Benedetta, Watson, Kathleen, de Angelis, Paolo, Kautz, Marin, Cochran, Ashly, Mathé, Aleksander A., Kocsis, James H., Lee, Francis S., Murrough, James W., McEwen, Bruce S., Rasgon, Natalie
Published in Molecular psychiatry (01.09.2021)
Published in Molecular psychiatry (01.09.2021)
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Novel Glycoconjugate of 8-Fluoro Norfloxacin Derivatives as Gentamicin-resistant Staphylococcus aureus Inhibitors: Synthesis and Molecular Modelling Studies
Azad, Chandra S., Bhunia, Shome S., Krishna, Atul, Shukla, Praveen K., Saxena, Anil K.
Published in Chemical biology & drug design (01.10.2015)
Published in Chemical biology & drug design (01.10.2015)
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Sex differences in mitochondrial free-carnitine levels in subjects at-risk and with Alzheimer’s disease in two independent study cohorts
Bigio, Benedetta, Lima-Filho, Ricardo A. S., Barnhill, Olivia, Sudo, Felipe K., Drummond, Claudia, Assunção, Naima, Vanderborght, Bart, Beasley, James, Young, Sarah, Korman, Aryeh, Jones, Drew R., Sultzer, David L., Ferreira, Sergio T., Mattos, Paulo, Head, Elizabeth, Tovar-Moll, Fernanda, De Felice, Fernanda G., Lourenco, Mychael V., Nasca, Carla
Published in Molecular psychiatry (01.06.2025)
Published in Molecular psychiatry (01.06.2025)
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Three-dimensional topology of the SMC2/SMC4 subcomplex from chicken condensin I revealed by cross-linking and molecular modelling
Barysz, Helena, Kim, Ji Hun, Chen, Zhuo Angel, Hudson, Damien F., Rappsilber, Juri, Gerloff, Dietlind L., Earnshaw, William C.
Published in Open biology (01.02.2015)
Published in Open biology (01.02.2015)
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POS0341 DECONVOLUTION OF TRANSCRIPTOMICS CHANGES IN DEUCRAVACITINIB-TREATED SUBJECTS REVEALS NOVEL MECHANISTIC EFFECTS OF TYK2 INHIBITION IN LUPUS
Vital, E. M., Arriens, C., Kahlenberg, J. M., Crow, M. K., Saxena, A., Wu, C., Hu, Y., Hobar, C., Coles, A., Catlett, I. M.
Published in Annals of the rheumatic diseases (01.06.2024)
Published in Annals of the rheumatic diseases (01.06.2024)
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Differential Expression of MicroRNAs in Omental Adipose Tissue From Gestational Diabetes Mellitus Subjects Reveals miR-222 as a Regulator of ERα Expression in Estrogen-Induced Insulin Resistance
Shi, Zhonghua, Zhao, Chun, Guo, Xirong, Ding, Hongjuan, Cui, Yugui, Shen, Rong, Liu, Jiayin
Published in Endocrinology (Philadelphia) (01.05.2014)
Published in Endocrinology (Philadelphia) (01.05.2014)
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