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Journal of Biomolecular Structure and Dynamics Volume 31, 2013 - Issue 10
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Articles

Insights into the drug resistance induced by the BaDHPS mutations: molecular dynamic simulations and MM/GBSA studies

Wen-Ting Chu
,
Ji-Long Zhang State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, China
,
Qing-Chuan Zheng State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, ChinaCorrespondence[email protected]
,
Lin Chen State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, China
,
Qiao Xue State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, China
&
Hong-Xing Zhang State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, ChinaCorrespondence[email protected]
Pages 1127-1136 | Received 22 Jun 2012, Accepted 13 Aug 2012, Published online: 02 Oct 2012

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Juliyan Gunasinghe, Siaw San Hwang, Wai Keat Yam, Taufiq Rahman & Xavier Chee Wezen. (2023) In-silico discovery of inhibitors against human papillomavirus E1 protein. Journal of Biomolecular Structure and Dynamics 41:12, pages 5583-5596.
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Christopher Heng Xuan Ha, Nung Kion Lee, Taufiq Rahman, Siaw San Hwang, Wai Keat Yam & Xavier Wezen Chee. (2023) Repurposing FDA-approved drugs as HIV-1 integrase inhibitors: an in silico investigation. Journal of Biomolecular Structure and Dynamics 41:6, pages 2146-2159.
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Abid Ali, Divya Gupta, Gaurava Srivastava, Ashok sharma & Asad U. Khan. (2019) Molecular and computational approaches to understand resistance of New Delhi metallo β-lactamase variants (NDM-1, NDM-4, NDM-5, NDM-6, NDM-7)-producing strains against carbapenems. Journal of Biomolecular Structure and Dynamics 37:8, pages 2061-2071.
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Articles from other publishers (1)

Yan Wang, Qing-Chuan Zheng, Ji-Long Zhang, Ying-Lu Cui, Qiao Xue & Hong-Xing Zhang. (2013) Highlighting a π–π interaction: a protein modeling and molecular dynamics simulation study on Anopheles gambiae glutathione S-transferase 1-2. Journal of Molecular Modeling 19:12, pages 5213-5223.
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