| Effects of water models on binding affinity: evidence from all-atom simulation of binding of tamiflu to A/H5N1 neuraminidase TT Nguyen, MH Viet, MS Li The Scientific World Journal 2014, 2014 | 64 | 2014 |
| A new method for navigating optimal direction for pulling ligand from binding pocket: application to ranking binding affinity by steered molecular dynamics QV Vuong, TT Nguyen, MS Li Journal of chemical information and modeling 55 (12), 2731-2738, 2015 | 56 | 2015 |
| Binding of glyco-acridine derivatives to lysozyme leads to inhibition of amyloid fibrillization QV Vuong, K Siposova, TT Nguyen, A Antosova, L Balogova, L Drajna, ... Biomacromolecules 14 (4), 1035-1043, 2013 | 48 | 2013 |
| Study of Tamiflu sensitivity to variants of A/H5N1 virus using different force fields TT Nguyen, BK Mai, MS Li Journal of chemical information and modeling 51 (9), 2266-2276, 2011 | 44 | 2011 |
| In Silico and in Vitro Study of Binding Affinity of Tripeptides to Amyloid β Fibrils: Implications for Alzheimer’s Disease MH Viet, K Siposova, Z Bednarikova, A Antosova, TT Nguyen, Z Gazova, ... The Journal of Physical Chemistry B 119 (16), 5145-5155, 2015 | 38 | 2015 |
| Active site breathing of human Alkbh5 revealed by solution NMR and accelerated molecular dynamics JA Purslow, TT Nguyen, TK Egner, RR Dotas, B Khatiwada, V Venditti Biophysical Journal 115 (10), 1895-1905, 2018 | 23 | 2018 |
| The oligomerization state of bacterial enzyme I (EI) determines EI's allosteric stimulation or competitive inhibition by α-ketoglutarate TT Nguyen, R Ghirlando, V Venditti Journal of Biological Chemistry 293 (7), 2631-2639, 2018 | 15 | 2018 |
| N6-methyladenosine binding induces a metal-centered rearrangement that activates the human RNA demethylase Alkbh5 JA Purslow, TT Nguyen, B Khatiwada, A Singh, V Venditti Science Advances 7 (34), eabi8215, 2021 | 13 | 2021 |
| Structure elucidation of the elusive Enzyme I monomer reveals the molecular mechanisms linking oligomerization and enzymatic activity TT Nguyen, R Ghirlando, J Roche, V Venditti Proceedings of the National Academy of Sciences 118 (20), e2100298118, 2021 | 12 | 2021 |
| Solution structure ensemble of human obesity-associated protein FTO reveals druggable surface pockets at the interface between the N-and C-terminal domain B Khatiwada, TT Nguyen, JA Purslow, V Venditti Journal of Biological Chemistry 298 (5), 2022 | 9 | 2022 |
| An allosteric pocket for inhibition of bacterial Enzyme I identified by NMR-based fragment screening TT Nguyen, V Venditti Journal of structural biology: X 4, 100034, 2020 | 9 | 2020 |
| A Single Point Mutation Controls the Rate of Interconversion Between the g + and g − Rotamers of the Histidine 189 χ2 Angle That Activates Bacterial … JA Purslow, JN Thimmesch, V Sivo, TT Nguyen, B Khatiwada, RR Dotas, ... Frontiers in Molecular Biosciences 8, 699203, 2021 | 3 | 2021 |
| High-Pressure NMR Experiments for Detecting Protein Low-Lying Conformational States TT Nguyen, S Siang, J Roche JoVE (Journal of Visualized Experiments), e62701, 2021 | | 2021 |
| Hybrid thermophilic/mesophilic enzymes reveal a role for conformational disorder in regulation of bacterial Enzyme I C Stewart, R Dotas, T Nguyen, R Ghirlando, V Venditti, D Potoyan | | 2020 |
| Proline-containing tripeptides are effective inhibitors of A-beta amyloid fibrillization K Siposova, MS Li, MH Viet, Z Bednarikova, TT Nguyen, A Antosova, ... EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 42, S70-S70, 2013 | | 2013 |
| Research Article Effects of Water Models on Binding Affinity: Evidence from All-Atom Simulation of Binding of Tamiflu to A/H5N1 Neuraminidase TT Nguyen, MH Viet, MS Li | | |
