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Journal of Biomolecular Structure and Dynamics Volume 36, 2018 - Issue 6
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Research Articles

Molecular dynamic modeling of CYP51B in complex with azole inhibitors

Pan GaoCenter for Computational Biology, College of Biological Sciences and Biotechnology, Beijing Forestry University, Beijing100083, China
,
Ying-Lu CuiCenter for Computational Biology, College of Biological Sciences and Biotechnology, Beijing Forestry University, Beijing100083, ChinaCorrespondence[email protected]
&
Rong-Ling WuCenter for Computational Biology, College of Biological Sciences and Biotechnology, Beijing Forestry University, Beijing100083, China;Center for Statistical Genetics, The Pennsylvania State University 500 University Drive, Hershey, PA17033, USACorrespondence[email protected]
Pages 1511-1519 | Received 20 Mar 2017, Accepted 01 May 2017, Published online: 28 May 2017

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Tayane Honorato Siqueira & Leandro Martínez. (2020) Molecular simulations of fluconazole-mediated inhibition of sterol biosynthesis. Journal of Biomolecular Structure and Dynamics 38:6, pages 1659-1669.
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Articles from other publishers (8)

Manish Rana, Saiema Ahmedi, Aysha Fatima, Shaban Ahmad, Nouman, Nazia Siddiqui, Khalid Raza, Nikhat Manzoor, Saleem Javed & Rahisuddin. (2023) Synthesis, single crystal, TD-DFT, molecular dynamics simulation and DNA binding studies of carbothioamide analog. Journal of Molecular Structure 1287, pages 135701.
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Rafael A.C. Souza, Vito L. Cunha, Jonathan Henrique de Souza, Carlos H.G. Martins, Eduardo de F. Franca, Marcos Pivatto, Javier A. Ellena, Leandro A. Faustino, Antonio Otavio de T. Patrocinio, Victor M. Deflon, Pedro Ivo da S. Maia & Carolina G. Oliveira. (2022) Zinc(II) complexes bearing N,N,S ligands: Synthesis, crystal structure, spectroscopic analysis, molecular docking and biological investigations about its antifungal activity. Journal of Inorganic Biochemistry 237, pages 111995.
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Yuan Kong, Chenyang Ji, Dong Guo, Rujian He, Meirong Zhao & Jun Fan. (2022) Triticonazole enantiomers induced enantioselective metabolic phenotypes in Fusarium graminearum and HepG2 cells. Environmental Science and Pollution Research 29:50, pages 75978-75988.
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Ana Lopez-Antia, Manuel E. Ortiz-Santaliestra, François Mougeot, Pablo R. Camarero & Rafael Mateo. (2021) Birds feeding on tebuconazole treated seeds have reduced breeding output. Environmental Pollution 271, pages 116292.
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Na Shi, Qingchuan Zheng & Hongxing Zhang. (2020) Molecular Dynamics Investigations of Binding Mechanism for Triazoles Inhibitors to CYP51. Frontiers in Molecular Biosciences 7.
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VV Chagovets, NL Starodubtseva & VE Frankevich. (2020) Complexes of fluconazole with alanine, lysine and threonine: mass spectrometry and theoretical modeling. Bulletin of Russian State Medical University:2020(4), pages 54-59.
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Mahdi AbastabarTahereh HosseiniReza ValadanMilad LagzianIman HaghaniNarges AslaniHamid BadaliSadegh Nouripour-SisakhtMehdi NazeriSara GholamiMahshid VakiliPaul BowyerTahereh ShokohiMohammad T. Hedayati. (2019) Novel Point Mutations in cyp51A and cyp51B Genes Associated with Itraconazole and Posaconazole Resistance in Aspergillus clavatus Isolates . Microbial Drug Resistance 25:5, pages 652-662.
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Omar Gómez-García, Dulce Andrade-Pavón, Elena Campos-Aldrete, Ricardo Ballinas-Indilí, Alfonso Méndez-Tenorio, Lourdes Villa-Tanaca & Cecilio Álvarez-Toledano. (2018) Synthesis, Molecular Docking, and Antimycotic Evaluation of Some 3-Acyl Imidazo[1,2-a]pyrimidines. Molecules 23:3, pages 599.
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