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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 4
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Research Articles

Molecular dynamics simulations of sulfone derivatives in complex with DNA topoisomerase IIα ATPase domain

Kanika Vermaa Biocatalyst and Environmental Biotechnology Research Unit, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok, ThailandView further author information
,
Panupong Mahalapbutrb Department of Biochemistry, Faculty of Medicine, Khon Kaen University, Khon Kaen, ThailandView further author information
,
Atima Auepattanapongc Department of Chemistry and Center of Excellence for Innovation in Chemistry (PERCH-CIC), Faculty of Science, Mahidol University, Bangkok, ThailandView further author information
,
Onnicha Khaikatec Department of Chemistry and Center of Excellence for Innovation in Chemistry (PERCH-CIC), Faculty of Science, Mahidol University, Bangkok, ThailandView further author information
,
Chutima Kuhakarnc Department of Chemistry and Center of Excellence for Innovation in Chemistry (PERCH-CIC), Faculty of Science, Mahidol University, Bangkok, ThailandView further author information
,
Kaito Takahashid Institute of Atomic and Sciences, Academia Sinica, Taipei, TaiwanView further author information
&
Thanyada Rungrotmongkola Biocatalyst and Environmental Biotechnology Research Unit, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok, Thailand;e Program in Bioinformatics and Computational Biology, Graduate School, Chulalongkorn University, Bangkok, ThailandCorrespondence[email protected] [email protected]
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Pages 1692-1701 | Received 17 Jun 2020, Accepted 29 Sep 2020, Published online: 22 Oct 2020

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Fatima En-nahli, Soukayna Baammi, Halima Hajji, Marwa Alaqarbeh, Tahar Lakhlifi & Mohammed Bouachrine. (2023) High-throughput virtual screening approach of natural compounds as target inhibitors of plasmepsin-II. Journal of Biomolecular Structure and Dynamics 41:19, pages 10070-10080.
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Kanika Verma, Ayush Kumar Lahariya, Garima Verma, Monika Kumari, Divanshi Gupta, Neha Maurya, Anil Kumar Verma, Ashutosh Mani, Kristan Alexander Schneider & Praveen Kumar Bharti. (2023) Screening of potential antiplasmodial agents targeting cysteine protease-Falcipain 2: a computational pipeline. Journal of Biomolecular Structure and Dynamics 41:17, pages 8121-8164.
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Articles from other publishers (1)

Pan Chen, Yiming Yu, Sijia Su, Zhiteng Du, Binhao Cai, Xiaoyu Sun, Nipon Chattipakorn, Aleksandr V. Samorodov, Valentin N. Pavlov, Qidong Tang, Won-Jea Cho & Guang Liang. (2023) Design, synthesis, and bioactivity evaluation of novel 1-(4-(benzylsulfonyl)-2-nitrophenyl) derivatives as potential anti-inflammatory agents against LPS-induced acute lung injury. Bioorganic & Medicinal Chemistry Letters 80, pages 129097.
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