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Vaishnavi Shanmugam & Soundararajn Muthukrishnan. (2023) Investigation of novel ligand targeting bromodomain-containing protein 4 (BRD4) for cancer drug discovery: complete pharmacophore approach. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-16.
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D. Luo, J.B. Tong, X.C. Xiao, S. Bian, X. Zhang, J. Wang & H.Y. Xu. (2021) Theoretically exploring selective-binding mechanisms of BRD4 through integrative computational approaches. SAR and QSAR in Environmental Research 32:12, pages 985-1011.
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S.L. Wu, L.F. Wang, H.B. Sun, W. Wang & Y.X. Yu. (2020) Probing molecular mechanism of inhibitor bindings to bromodomain-containing protein 4 based on molecular dynamics simulations and principal component analysis. SAR and QSAR in Environmental Research 31:7, pages 547-570.
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L.F. Wang, Y. Wang, Z.Y. Yang, J. Zhao, H.B. Sun & S.L. Wu. (2020) Revealing binding selectivity of inhibitors toward bromodomain-containing proteins 2 and 4 using multiple short molecular dynamics simulations and free energy analyses. SAR and QSAR in Environmental Research 31:5, pages 373-398.
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Y. Wang, L.F. Wang, L.L. Zhang, H.B. Sun & J. Zhao. (2020) Molecular mechanism of inhibitor bindings to bromodomain-containing protein 9 explored based on molecular dynamics simulations and calculations of binding free energies. SAR and QSAR in Environmental Research 31:2, pages 149-170.
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Mingsong Shi, Xueting Zheng, Yan Zhou, Yuan Yin, Zhou Lu, Zhiyan Zou, Yan Hu, Yuanyuan Liang, Tingting Chen, Yuhan Yang, Meng Jing, Dan Lei, Pei Yang & Xiaoan Li. (2023) Selectivity Mechanism of Pyrrolopyridone Analogues Targeting Bromodomain 2 of Bromodomain-Containing Protein 4 from Molecular Dynamics Simulations. ACS Omega.
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Süleyman Selim Çınaroğlu & Philip C. Biggin. (2023) The role of loop dynamics in the prediction of ligand–protein binding enthalpy. Chemical Science 14:24, pages 6792-6805.
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Keliang Wu, Chenghua Zhang, Bing He, Huanxin Li, Shan Tang, Tao Han & Bingke Li. (2022) Virtual Screening of Antitumor Inhibitors Targeting BRD4 Based on Machine Learning Methods. ChemistrySelect 7:5.
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Siao Chen, Yi He, Yajiao Geng, Zhi Wang, Lu Han & Weiwei Han. (2021) Molecular Dynamic Simulations of Bromodomain and Extra-Terminal Protein 4 Bonded to Potent Inhibitors. Molecules 27:1, pages 118.
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Yan Wang, Shiliang Wu, Lifei Wang, Zhiyong Yang, Juan Zhao & Lulu Zhang. (2021) Binding selectivity of inhibitors toward the first over the second bromodomain of BRD4: theoretical insights from free energy calculations and multiple short molecular dynamics simulations. RSC Advances 11:2, pages 745-759.
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Lifei Wang, Yan Wang, Haibo Sun, Juan Zhao & Qing Wang. (2019) Theoretical insight into molecular mechanisms of inhibitor bindings to bromodomain-containing protein 4 using molecular dynamics simulations and calculations of binding free energies. Chemical Physics Letters 736, pages 136785.
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