| Does SARS-CoV-2 bind to human ACE2 more strongly than does SARS-CoV? HL Nguyen, PD Lan, NQ Thai, DA Nissley, EP O’Brien, MS Li The Journal of Physical Chemistry B 124 (34), 7336-7347, 2020 | 134 | 2020 |
| Remdesivir strongly binds to both RNA-dependent RNA polymerase and main protease of SARS-CoV-2: Evidence from molecular simulations HL Nguyen, NQ Thai, DT Truong, MS Li The Journal of Physical Chemistry B 124 (50), 11337-11348, 2020 | 85 | 2020 |
| Fast estimation of the blood–brain barrier permeability by pulling a ligand through a lipid membrane NQ Thai, PE Theodorakis, MS Li Journal of chemical information and modeling 60 (6), 3057-3067, 2020 | 36 | 2020 |
| Protocol for fast screening of multi-target drug candidates: Application to Alzheimer’s disease NQ Thai, HL Nguyen, HQ Linh, MS Li Journal of Molecular Graphics and Modelling 77, 121-129, 2017 | 36 | 2017 |
| SARS-CoV-2 omicron variant binds to human cells more strongly than the wild type: evidence from molecular dynamics simulation HL Nguyen, NQ Thai, PH Nguyen, MS Li The Journal of Physical Chemistry B 126 (25), 4669-4678, 2022 | 27 | 2022 |
| Bexarotene does not clear amyloid beta plaques but delays fibril growth: Molecular mechanisms PDQ Huy, NQ Thai, Z Bednarikova, LH Phuc, HQ Linh, Z Gazova, MS Li ACS chemical neuroscience 8 (9), 1960-1969, 2017 | 26 | 2017 |
| Compound CID 9998128 is a potential multitarget drug for Alzheimer’s disease NQ Thai, Z Bednarikova, M Gancar, HQ Linh, CK Hu, MS Li, Z Gazova ACS Chemical Neuroscience 9 (11), 2588-2598, 2018 | 18 | 2018 |
| Discovery of DNA dyes Hoechst 34580 and 33342 as good candidates for inhibiting amyloid beta formation: in silico and in vitro study NQ Thai, NH Tseng, MT Vu, TT Nguyen, HQ Linh, CK Hu, YR Chen, MS Li Journal of Computer-Aided Molecular Design 30, 639-650, 2016 | 14 | 2016 |
| 7-Methoxytacrine and 2-Aminobenzothiazole Heterodimers: Structure–Mechanism Relationship of Amyloid Inhibitors Based on Rational Design M Gancar, K Ho, SA Mohid, NQ Thai, Z Bednarikova, HL Nguyen, ... ACS Chemical Neuroscience 11 (5), 715-729, 2020 | 13 | 2020 |
| Screening potential inhibitors for cancer target LSD1 from natural products by steered molecular dynamics NQ Thai, NQ Nguyen, C Nguyen, TQ Nguyen, K Ho, TT Nguyen, MS Li Molecular Simulation 44 (4), 335-342, 2018 | 8 | 2018 |
| Bexarotene cannot reduce amyloid beta plaques through inhibition of production of amyloid beta peptides: in silico and in vitro study HDQ Pham, NQ Thai, Z Bednarikova, HQ Linh, Z Gazova, MS Li Physical Chemistry Chemical Physics 20 (37), 24329-24338, 2018 | 5 | 2018 |
| Identifying inhibitors of NSP16-NSP10 of SARS-CoV-2 from large databases HL Nguyen, NQ Thai, MS Li Journal of Biomolecular Structure and Dynamics 41 (15), 7045-7054, 2023 | 4 | 2023 |
| First-principles insights onto structural, electronic and optical properties of Janus monolayers CrXO (X= S, Se, Te) TPT Linh, NN Hieu, HV Phuc, CQ Nguyen, PT Vinh, NQ Thai, NV Hieu RSC advances 11 (63), 39672-39679, 2021 | 4 | 2021 |
| Erythromycin, Cethromycin and Solithromycin display similar binding affinities to the E. coli's ribosome: A molecular simulation study HL Nguyen, PH An, NQ Thai, HQ Linh, MS Li Journal of Molecular Graphics and Modelling 91, 80-90, 2019 | 4 | 2019 |
| Interaction of SARS-CoV-2 with host cells and antibodies: experiment and simulation H Nguyen, HL Nguyen, PD Lan, NQ Thai, M Sikora, MS Li Chemical Society Reviews, 2023 | 3 | 2023 |
| Determination of Multidirectional Pathways for Ligand Release from the Receptor: A New Approach Based on Differential Evolution HL Nguyen, NQ Thai, MS Li Journal of Chemical Theory and Computation 18 (6), 3860-3872, 2022 | 3 | 2022 |
| SARS-CoV-2 Omicron Subvariants Do Not Differ Much in Binding Affinity to Human ACE2: A Molecular Dynamics Study HL Nguyen, TQ Nguyen, MS Li The Journal of Physical Chemistry B, 2024 | | 2024 |
| Nghiên cứu tương tác của hợp chất CID 16040294 với amyloid beta bằng phương pháp docking TNT Huynh, QT Nguyen Dong Thap University Journal of Science 12 (2), 44-49, 2023 | | 2023 |
| Identifying potential drugs for inhibition the M2 protein channel of influenza A by steered molecular dynamics TNT Huynh, QT Nguyen, MT Pham Dong Thap University Journal of Science 11 (5), 52-59, 2022 | | 2022 |
| Insight into the interaction mechanism of thioflavin-t with an amyloid beta (1-42) by the docking method NQ Thai, HQ Linh Science and Technology Development Journal 24 (SI1), SI79-SI84, 2021 | | 2021 |
Mai Suan LiProfessor of Physics, Institute of Physics, Polish Academy of SciencesEmail được xác minh tại ifpan.edu.pl
