1. Hien T. T. Lai, Toan T. Nguyen*, 2021, Construction of dimeric hTSPO protein model using homology modelling and molecular dynamics, J. Phys. Conf. Ser. (accepted).
  2. Bui Thanh Tung*, Nguyen Bao Kim, Le Minh Ngoc, Nguyen The Toan, Pham The Hai, 2021, In silico screening of drug inhibitors of SARS-COV-2 RNA-dependent RNA polymerase target, MedPharmRes (accepted).
  3. Hien T. T. Lai, Alejandro Giorgetti, Giulia Rossetti, Toan T. Nguyen*, Paolo Carloni, Agata Kranjc*, 2021, The Interplay of Cholesterol and Ligand Binding in hTSPO from Classical Molecular Dynamics Simulations, Molecules, 26 (5), 1250, DOI: 10.3390/molecules26051250
  4. Trang Thuy Nguyen*, Phong Hoang Le, Nam Hoang Vu, Thong Nguyen-Minh Le, Tan Le Hoang Doan, Jer-Lai Kuo, Toan The Nguyen*, Thang Bach Phan and Duc Nguyen-Manh, 2020, Hydrogen adsorption mechanism of MOF-74 metal organic frameworks: An insight from first principles calculations, RCS Advances; 10(72), 43940-43949, DOI:10.1039/d0ra08864a
  5. Kim My Tran, Dinh Phuc Do, Hoang Nam Vu, Toan T Nguyen, Bach Thang Phan, Kieu Hanh Ta Thia*, Kim Ngoc Pham*, (2020), Experimental Combined Theoretical Study On Chemical Interactions Of Graphene Oxide with Chitosan and its Resistive-switching Effect, Materials Science & Engineering B, 262, 114788; DOI: 10.1016/j.mseb.2020.114788
  6. Hanh Hong Mai*, Tam Trong Nguyen, Khoi Manh Giang, Xuan Tien Do, Toan Nguyen, Hieu Chi Hoang, Duong Ta*, (2020), Chicken albumen based whispering gallery mode microlasers, Soft Matter, 16(39), 9069-9073; DOI: 10.1039/D0SM01091J
  7. Thao TT Nguyen, Linh T Dang, Giang H Bach, Tung H Dang, Kien T Nguyen, Hong T Pham, Thuat T Nguyen, Tuyen V Nguyen, Toan T Nguyen, Hung Q Nguyen*, (2020), Enhanced thermoelectricity at the ultra-thin film limit, Appl. Phys. Lett., 117(8), 083104; DOI: 10.1063/5.0010274
  8. Viet Hoang Man, Mai Suan Li, Philippe Derreumaux, Junmei Wang, Toan T. Nguyen, Shikha Nangia, Phuong Nguyen*, Molecular mechanism of ultrasound interaction with a blood brain barrier mode, (2020), J. Chem. Phys., 153(4), 045104; DOI:10.1063/5.0010667
  9. Tran Ky Thanh, Toan T. Nguyen*, (2020), Computational study of μ-opioid receptor embedded in a realistic membrane, J. Phys. Conf. Series, 1506, 012023; DOI: 10.1088/1742-6596/1506/1/012023
  10. Le Thi Hai Yen, Tran Thanh Tuyen, Nguyen Viet Duc, Nguyen Quang Bau, Toan T. Nguyen* (2020), Numerical solution for the counterions distribution in a hexagonal DNA lattice within mean field theory using finite element method, Materials Transactions, 61(8), 1455-1461; DOI: 10.2320/matertrans.MT-MN2019020
  11. Vu H. Nam*, Le V. Hieu, Phan B. Thang, Nguyen T. Toan, Thoai, Nam, Cao, Thi Minh (2020), Effect of Surface States and Breakdown of the Schottky-Mott Limit of Graphene/Silicon van der Waals Heterostructure, Journal of Physical Chemistry C, 124 (16) 8958-8970; DOI: 10.1021/acs.jpcc.0c01257
  12. Ly H. Nguyen, Tuyen T. Tran, Lien Thi Ngoc Truong, Hanh Hong Mai, and Toan T. Nguyen*, (2020), Overcharging of zinc ion in the structure of zinc−finger protein is needed for DNA binding stability, Biochemistry, 59(13), 1378-1390; DOI: 10.1021/acs.biochem.9b01055, selected as cover story for April 2020 issues of Biochemistry.
  13. Hien T. T. Lai, Ha M Do*, Duc Manh Nguyen, and Toan T. Nguyen*, (2020), Homology modeling of mouse NLRP3 NACHT protein domain and molecular dynamics simulation of its ATP binding properties, International Journal of Modern Physics C, 31(3), 2050036; DOI: 10.1142/S0129183120500369.
  14. Vu Dang Hoang, Tran Huu Hung, Cao Phuong Cong, Hue Minh Thi Nguyen, and Toan T. Nguyen*, (2020), Investigating molecular mechanism for the stability of ternary systems containing cetrimide, fatty alcohol and water by using computer simulation, Journal of Molecular Graphics and Modeling, 95, 107500; DOI: 10.1016/j.jmgm.2019.107500.
  15. Nguyen Viet Duc, Ly Hai Nguyen, Hien T. T. Lai, Toan T. Nguyen* (2019), Computational study of the effect of protonation states of PSA protein zinc fingers on its DNA binding, J. Phys. Conf. Series, 1274, 012002; DOI: 10.1088/1742-6596/1274/1/012002
  16. Nguyen Viet Duc, Toan T. Nguyen* (2019), Size Effect in Grand-canonical Monte-Carlo Simulation of Solutions of Electrolyte, VNU Journal of Science, Math.-Phys. 35, 13-21; DOI: 10.25073/2588-1124/vnumap.4296
  17. Nguyen Vu Nhan*, Nguyen Viet Duc, Toan T. Nguyen, (2019), The phenomena of charge inversion and effective attraction between the spherical macromolecules in electrolyte solvent, Scientific journal of Hanoi Metropolitan University, 35, 42-53.
  18. Hoang Gia Linh*, Nguyen Thuy Trang, Nguyen The Toan, Doan Le Hoang Tan, and Nguyen Manh Duc (2018), A systematic study of electronic structure for anti-cancer drug molecule 5-Fluorouracil within various solvents from first-principles calculations” V. Van Toi et al. (eds.), 7th International Conference on the Development of Biomedical Engineering in Vietnam (BME7), IFMBE Proceedings 69, 721-726.
  19. Dung Nguyen Trong*, Cuong Nguyen Chinh, Toan Nguyen The, Hung Pham Khac, (2018), Factors on the Magnetic Properties of the Iron Nanoparticles by Classical Heisenberg Model, Physica B, 532, 144.
  20. Viet Duc Nguyen, Toan T. Nguyen*, Paolo Carloni, (2017), DNA like-charge attraction and overcharging by divalent counterions in the presence of divalent co-ions, J. Biol. Phys., 43, 185–195.
  21. Nguyen V Duc, Toan T Nguyen* (2017), Grand−canonical Monte−Carlo simulation of DNA condensation in equilibrium with a salt mixture containing 2:2 salt, J. Phys. Conf. Ser., 865, 012010.
  22. Vu Van Quyen, Vu Thi Hai Yen, Toan T. Nguyen* (2016), Screening of a small spherical macroion by oppositely charged flexible polyelectrolyte, Comm. Phys. 26, 287
  23. Nguyen, T. T., (2016), Grand-canonical simulation of DNA condensation with two salts, effect of divalent counterion size, Journal of Chemical Physics 144(6), 065102.