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Journal of Biomolecular Structure and Dynamics Volume 37, 2019 - Issue 13
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Research Articles

Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulations

Jiraphorn PhanichFaculty of Science, Department of Chemistry, Center of Excellence in Computational Chemistry (CECC), Chulalongkorn University, Bangkok, Thailand; View further author information
,
Siraphob ThreeracheepFaculty of Science, Department of Biochemistry, Structural and Computational Biology Research Group, Chulalongkorn University, Bangkok, Thailand; View further author information
,
Nawee KungwanFaculty of Science, Department of Chemistry, Chiang Mai University, Chiang, Mai, Thailand; ;Center of Excellence in Materials Science and Technology, Chiang Mai University, Chiang, Mai, Thailand; View further author information
,
Thanyada RungrotmongkolFaculty of Science, Department of Chemistry, Center of Excellence in Computational Chemistry (CECC), Chulalongkorn University, Bangkok, Thailand; ;Faculty of Science, Ph.D. Program in Bioinformatics and Computational Biology, Chulalongkorn University, Bangkok, ThailandCorrespondence[email protected]
View further author information
&
Supot HannongbuaFaculty of Science, Department of Chemistry, Center of Excellence in Computational Chemistry (CECC), Chulalongkorn University, Bangkok, Thailand; View further author information
Pages 3354-3365 | Received 29 May 2018, Accepted 03 Aug 2018, Published online: 25 Nov 2018

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R. A. Jeyaram, T. R. K. Priyadarzini, C. Anu Radha, N. R. Siva Shanmugam, C. Ramakrishnan, M. Michael Gromiha & K. Veluraja. (2019) Molecular dynamics simulation studies on influenza A virus H5N1 complexed with sialic acid and fluorinated sialic acid. Journal of Biomolecular Structure and Dynamics 37:18, pages 4813-4824.
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Articles from other publishers (5)

Peter Eugene Jones, Carolina Pérez-Segura, Alexander J Bryer, Juan R Perilla & Jodi A Hadden-Perilla. (2021) Molecular dynamics of the viral life cycle: progress and prospects. Current Opinion in Virology 50, pages 128-138.
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Zhiyuan Pan, Yao Zhu, Jian Rong, Kaili Mao, Dongya Yang, Tao Zhang, Jicheng Xu, Fengxian Qiu & Jianming Pan. (2021) FeOOH imprinted nanorods based on boronate affinity surface imprinting for the separation of shikimic acid. Colloids and Surfaces A: Physicochemical and Engineering Aspects 622, pages 126639.
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Bodee Nutho, Salila Pengthaisong, Anupong Tankrathok, Vannajan Sanghiran Lee, James R. Ketudat Cairns, Thanyada Rungrotmongkol & Supot Hannongbua. (2020) Structural Basis of Specific Glucoimidazole and Mannoimidazole Binding by Os3BGlu7. Biomolecules 10:6, pages 907.
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Yao Zhu, Jian Rong, Kaili Mao, Dongya Yang, Tao Zhang, Fengxian Qiu & Jianming Pan. (2019) Fe 3 O 4 @chitosan‐bound boric acid composite as pH‐responsive reusable adsorbent for selective recognition and capture of cis‐diol‐containing shikimic acid . Applied Organometallic Chemistry 34:3.
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Mirco Zerbetto, Antonino Polimeno & Göran Widmalm. (2020) Glycosidic linkage flexibility: The ψ torsion angle has a bimodal distribution in α -L-Rha p -(1 → 2)- α -L-Rha p -OMe as deduced from 13C NMR spin relaxation . The Journal of Chemical Physics 152:3.
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