14. Son Tung Ngo*, Trung Hai Nguyen, Nguyen Thanh Tung, Van V. Vu, Binh Khanh Mai
Characterizing the ligand-binding affinity to SARS-CoV-2 Mpro via physics- and knowledge-based approaches
Phys. Chem. Chem. Phys., 2022, 24, 29266-29278. [LINK]
13. Son Tung Ngo, Han N. Phan, Cuong X. Luu, Chinh N. Le, Giap T. Ho, Nhung T. C. Ngo, Loan Q. Le, Binh Khanh Mai, Huong T. T. Phung, Hoang-Dung Nguyen, Khanh B. Vu, and Van V. Vu*
Distal Hydrophobic Loop Modulates the Copper Active Site and Reaction of AA13 Polysaccharide Monooxygenases
J. Phys. Chem. B, 2022, 126, 7567-7578. [LINK]
12. Son Tung Ngo*, Trung Hai Nguyen, Nguyen Thanh Tung, and Binh Khanh Mai*
Insights into the Binding and Covalent Inhibition Mechanism of PF-07321332 to SARS-CoV2 Mpro
RSC Adv., 2022, 12, 3729-3737. [LINK]
11. T. Ngoc Han Pham, Trung Hai Nguyen, Nguyen Minh Tam, Vu Thien Y, Nhat Truong Pham, Nguyen Truong Huy, Binh Khanh Mai, Nguyen Thanh Tung, Minh Quan Pham, Van V. Vu, and Son Tung Ngo*
Improving the Accuracy of AutoDock Vina by Changing the Empirical Parameters
J. Comput. Chem., 2022, 43, 160-169. [LINK]
10. Jun Hyoung Jeon, Tae Rim Oh, Seoyoung Park, Sunghoo Huh, Ji Hyeon Kim, Binh Khanh Mai, Jung Hoon Lee, Se Hyun Kim, Min Jae Lee*
The Antipsychotic Drug Clozapine Suppresses the RGS4 Polyubiquitylation and Proteasomal Degradation Mediated by the Arg/N-degron Pathway
Neurotherapeutics, 2021, 18, 1768-1782. [LINK]
9. Son Tung Ngo*, Binh Khanh Mai*, Philippe Derreumaux, and Van V. Vu
Adequate Prediction for Inhibitor Affinity of Aβ40 Protofibril using the Linear Interaction Energy Method
RSC Adv., 2019, 9, 12455-12461. [LINK]
8. Son Tung Ngo*, Binh Khanh Mai, Dinh Minh Hiep, and Mai Suan Li*
Estimation of the Binding Free Energy of AC1NX476 to HIV-1 Protease Wild Type and Mutations Using Free Energy Perturbation Method
Chem. Biol. Drug. Des., 2015, 86, 546-558. [LINK]
7. Shashi Sriram§, Jung Hoon Lee§, Binh Khanh Mai§, Yanxialei Jiang, Yongho Kim, Young Dong Yoo, Rajkumar Banerjee, Seung-Han Lee, and Min Jae Lee*
Development and Characterization of Monomeric N-End Rule Inhibitors through In Vitro Model Substrates
J. Med. Chem., 2013, 56, 2540-2546. [LINK]
(§ - equal contribution)
6. Yanxialei Jiang, Subrata Kumar Pore, Jung Hoon Lee, Shashi Sriram, Binh Khanh Mai, Dong Hoon Han, Pritha Agarwalla, Adriana Zakrzewska, Yongho Kim, Rajkumar Banerjee, Seung-Han Lee, and Min Jae Lee*
Characterization of Mammalian N-degrons and Development of Heterovalent Inhibitors of the N-end Rule Pathway
Chem. Sci., 2013, 4, 3339-3346. [LINK]
5. Mai Suan Li* and Binh Khanh Mai
Steered Molecular Dynamics - Promising Tool for Drug Design
Curr. Bioinform., 2012, 7, 342-351. [LINK]
4. Trang Truc Nguyen, Binh Khanh Mai, and Mai Suan Li*
Study of Tamiflu Sensitivity to Variants of A/H5N1 Virus Using Different Force Fields
J. Chem. Inf. Model., 2011,51, 2266-2276. [LINK]
3. Binh Khanh Mai and Mai Suan Li*
Neuraminidase Inhibitor R-125489 - A Promising Drug for Treating Influenza Virus: Steered Molecular Dynamics Approach
Biochem. Biophys. Res. Commun., 2011, 410, 688-691. [LINK]
2. Binh Khanh Mai, Man Hoang Viet, and Mai Suan Li*
Top Leads for Swine Influenza A/H1N1 Virus Revealed by Steered Molecular Dynamics Approach
J. Chem. Inf. Model., 2010, 50, 2236-2247. [LINK]
1. Gali Arad-Haase, Silvia G. Chuartzman, Shlomi Dagan, Reinat Nevo, Maksim Kouza, Binh Khanh Mai, Hung Tien Nguyen, Mai Suan Li*, and Ziv Reich*
Mechanical Unfolding of Acylphosphatase Studied by Single-Molecule Force Spectroscopy and MD Simulations
Biophys. J., 2010, 99, 238-247. [LINK]