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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 11
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Research Articles

Computational modeling of cyclic peptide inhibitor–MDM2/MDMX binding through global docking and Gaussian accelerated molecular dynamics simulations

Yeng-Tseng Wanga Department of Biochemistry, School of Medicine, College of Medicine, Kaohsiung Medical University, Kaohsiung, Taiwan;b Drug Development and Value Creation Research Center, Kaohsiung Medical University, Kaohsiung, Taiwan;c Graduate Institute of Medicine, Kaohsiung Medical University, Kaohsiung, Taiwan;d Department of Medical Research, Kaohsiung Medical University Hospital, Kaohsiung, TaiwanCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0002-6159-2690View further author information
ORCID Icon &
Tian-Lu Chengb Drug Development and Value Creation Research Center, Kaohsiung Medical University, Kaohsiung, Taiwan;c Graduate Institute of Medicine, Kaohsiung Medical University, Kaohsiung, Taiwan;e Department of Biomedical Science and Environment Biology, Kaohsiung Medical University, Kaohsiung, TaiwanCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0002-7263-2766View further author information
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Pages 4005-4014 | Received 24 Apr 2020, Accepted 18 May 2020, Published online: 08 Jun 2020

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Abel Ujaigbe Egbemhenghe, Olajide Enoch Aderemi, Bamidele Samson Omotara, Faith Iyayi Akhimien, Faith Osaretin Osabuohien, Habeebulah Ajibola Adedapo, Oluwakemi Rita Temionu, Winner Amaka Egejuru, Chinedum Favour Ajala, Meejay Francis Ihunanya, Oluwatosin Oluwafunmilola Oluwafemi, Chinyere Felicia Duncan Onu, Abosede Christiana Ajibare, Christopher Ddamulira, Justin Onyekachukwu Abalum & Olanrewaju Michael Afolayan. (2023) Computational-based drug design of novel small molecules targeting p53-MDMX interaction. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-10.
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Shristi Pawnikar, Apurba Bhattarai, Jinan Wang & Yinglong Miao. (2022) Binding Analysis Using Accelerated Molecular Dynamics Simulations and Future Perspectives. Advances and Applications in Bioinformatics and Chemistry 15, pages 1-19.
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Articles from other publishers (2)

Le Yi Chia, Palanirajan Vijayaraj Kumar, Marwan Abdelmahmoud Abdelkarim Maki, Guna Ravichandran & Sivasudha Thilagar. (2022) A Review: The Antiviral Activity of Cyclic Peptides. International Journal of Peptide Research and Therapeutics 29:1.
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Zohreh Mousavimanesh, Mostafa Shahnani, Amirmohammad Faraji‐Shovey, Morteza Bararjanian, Ahmad Shahir Sadr, Alireza Ghassempour & Peyman Salehi. (2022) A new chiral stationary phase based on noscapine: Synthesis, enantioseparation, and docking study. Chirality 34:10, pages 1371-1382.
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