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Journal of Biomolecular Structure and Dynamics Volume 42, 2024 - Issue 7
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Research Article

The switch states of the GDP-bound HRAS affected by point mutations: a study from Gaussian accelerated molecular dynamics simulations and free energy landscapes

Huayin Baoa School of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan, ChinaCorrespondence[email protected]
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,
Wei Wangb School of Science, Shandong Jiaotong University, Jinan, ChinaView further author information
,
Haibo Sunb School of Science, Shandong Jiaotong University, Jinan, ChinaView further author information
&
Jianzhong Chenb School of Science, Shandong Jiaotong University, Jinan, ChinaCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0003-1558-4398View further author information
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Pages 3363-3381 | Received 23 Feb 2023, Accepted 04 May 2023, Published online: 22 May 2023

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Huayin Bao, Weikai He & Jianzhong Chen. (2023) Exploring conformation changes of Janus kinase 2 pseudokinase mediated by mutations through Gaussian accelerated molecular dynamics and principal component analysis. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Avigyan Naskar, Kousik K. Bhanja, Rakesh K. Roy & Niladri Patra. (2023) Structural insight into G2019S mutated LRRK2 kinase and brain-penetrant type I inhibitor complex: a molecular dynamics approach. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-21.
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Lucas Adriano do Nascimento, Glaucio Monteiro Ferreira & Elizabeth Igne Ferreira. (2023) Exploring the conformational dynamics of the CRD4: a model for receptor lysosomal activity shifts in search of 'sweet’ and ‘sour’ states. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-7.
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Articles from other publishers (1)

Zhiping Yu, Zhen Wang, Xiuzhen Cui, Zanxia Cao, Wanyunfei Zhang, Kunxiao Sun & Guodong Hu. (2024) Conformational States of the GDP- and GTP-Bound HRAS Affected by A59E and K117R: An Exploration from Gaussian Accelerated Molecular Dynamics. Molecules 29:3, pages 645.
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