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Journal of Biomolecular Structure and Dynamics Volume 16, 1998 - Issue 1
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Original Articles

Molecular Modeling of HIV-1 Coreceptor CCR5 and Exploring of Conformational Space of its Extracellular Domain in Molecular Dynamics Simulation

Roman G. Efremov M.M. Shemyakin and Yu. A. Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, UI. Miklukho-Maklaya 16/10, 117871 GSP, Moscow, V-437, Russia
,
François Legret Université des Sciences et Technologies de Lille, Centre de Recherches et d'Etudes en Simulations et Modélisation Moléculaires (CRESIMM), Bâtiment C8, 59655, Villeneuve d'Ascq, Cedex, France
,
Gérard Vergoten Université des Sciences et Technologies de Lille, Centre de Recherches et d'Etudes en Simulations et Modélisation Moléculaires (CRESIMM), Bâtiment C8, 59655, Villeneuve d'Ascq, Cedex, France
,
André Capron Institut Pasteur de Lille, 1, rue du Professeur Calmette, B.P. 245, 59019, Lille Cedex, France
,
Georges M. Bahr Institut Pasteur de Lille, 1, rue du Professeur Calmette, B.P. 245, 59019, Lille Cedex, France
&
Alexander S. Arseniev M.M. Shemyakin and Yu. A. Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, UI. Miklukho-Maklaya 16/10, 117871 GSP, Moscow, V-437, Russia
Pages 77-90 | Received 18 Jun 1998, Published online: 21 May 2012

Citations (6)

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Karthik Arumugam, Serge Crouzy, Andy Chevigne, Carole Seguin-Devaux & Jean-Claude Schmit. (2014) Structure prediction of GPCRs using piecewise homologs and application to the human CCR5 chemokine receptor: validation through agonist and antagonist docking. Journal of Biomolecular Structure and Dynamics 32:8, pages 1274-1289.
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Nejla Stambouli, Mehdi Dridi, Ning-Ning Wei, Asma Jlizi, Abderahmen Bouraoui & Amel Ben Ammar Elgaaied. (2014) Structural insight into the binding complex: β-arrestin/CCR5 complex. Journal of Biomolecular Structure and Dynamics 32:6, pages 866-875.
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Rajesh Singh & M. Elizabeth Sobhia. (2013) Structure prediction and molecular dynamics simulations of a G-protein coupled receptor: human CCR2 receptor. Journal of Biomolecular Structure and Dynamics 31:7, pages 694-715.
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Articles from other publishers (3)

Mohsen Shahlaei, Armin Madadkar-Sobhani, Karim Mahnam, Afshin Fassihi, Lotfollah Saghaie & Mahboubeh Mansourian. (2011) Homology modeling of human CCR5 and analysis of its binding properties through molecular docking and molecular dynamics simulation. Biochimica et Biophysica Acta (BBA) - Biomembranes 1808:3, pages 802-817.
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Shuqun Liu, Xiufan Shi, Ciquan Liu & Zhirong Sun. (2004) Characterize dynamic conformational space of human CCR5 extracellular domain by molecular modeling and molecular dynamics simulation. Journal of Molecular Structure: THEOCHEM 673:1-3, pages 133-143.
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Roman Efremov, Marie‐José Truong, Edith Christine A. Darcissac, Jin Zeng, Odile Grau, Gérard Vergoten, Christine Debard, André Capron & George M. Bahr . (2001) Human chemokine receptors CCR5, CCR3 and CCR2B share common polarity motif in the first extracellular loop with other human G‐protein coupled receptors. European Journal of Biochemistry 263:3, pages 746-756.
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