| 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 | 131 | 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 | 84 | 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 | 35 | 2017 |
| Structure and physicochemical properties of the Aβ42 tetramer: multiscale molecular dynamics simulations HL Nguyen, P Krupa, NM Hai, HQ Linh, MS Li The Journal of Physical Chemistry B 123 (34), 7253-7269, 2019 | 29 | 2019 |
| 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 |
| Alzheimer’s amyloid-β sequesters caspase-3 in vitro via its C-terminal tail YJ Chang, NH Linh, YH Shih, HM Yu, MS Li, YR Chen ACS Chemical Neuroscience 7 (8), 1097-1106, 2016 | 23 | 2016 |
| Impact of mutations at C-terminus on structures and dynamics of Aβ40 and Aβ42: a molecular simulation study NH Linh, TTM Thu, LA Tu, CK Hu, MS Li The Journal of Physical Chemistry B 121 (17), 4341-4354, 2017 | 17 | 2017 |
| 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 |
| Elastic moduli of normal and cancer cell membranes revealed by molecular dynamics simulations HL Nguyen, VH Man, MS Li, P Derreumaux, J Wang, PH Nguyen Physical Chemistry Chemical Physics 24 (10), 6225-6237, 2022 | 12 | 2022 |
| Emergence of barrel motif in amyloid-β trimer: a computational study HL Nguyen, HQ Linh, P Matteini, G La Penna, MS Li The Journal of Physical Chemistry B 124 (47), 10617-10631, 2020 | 12 | 2020 |
| Aβ41 aggregates more like Aβ40 than like Aβ42: in silico and in vitro study HL Nguyen, T Thi Minh Thu, PM Truong, PD Lan, VH Man, PH Nguyen, ... The Journal of Physical Chemistry B 120 (30), 7371-7379, 2016 | 12 | 2016 |
| Nanomechanical stability of Aβ tetramers and fibril-like structures: molecular dynamics simulations AB Poma, TTM Thu, LTM Tri, HL Nguyen, MS Li The Journal of Physical Chemistry B 125 (28), 7628-7637, 2021 | 11 | 2021 |
| Amyloid β dodecamer disrupts the neuronal membrane more strongly than the mature fibril: Understanding the role of oligomers in neurotoxicity HL Nguyen, HQ Linh, P Krupa, G La Penna, MS Li The Journal of Physical Chemistry B 126 (20), 3659-3672, 2022 | 9 | 2022 |
| Computational model to unravel the function of amyloid-β peptides in contact with a phospholipid membrane DQ Huy Pham, P Krupa, HL Nguyen, G La Penna, MS Li The Journal of Physical Chemistry B 124 (16), 3300-3314, 2020 | 7 | 2020 |
| Binding affinity of the L-742,001 inhibitor to the endonuclease domain of A/H1N1/PA influenza virus variants: Molecular simulation approaches H Nguyen, HL Nguyen, HQ Linh, MT Nguyen Chemical Physics 500, 26-36, 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 |
| Investigation of binding affinity between potential antiviral agents and PB2 protein of influenza A: Non-equilibrium molecular dynamics simulation approach T Pham, HL Nguyen, T Phan-Toai, H Nguyen International Journal of Medical Sciences 17 (13), 2031, 2020 | 4 | 2020 |
| Erythromycin, Cethromycin and Solithromycin display similar binding affinities to the E. coli's ribosome: A molecular simulation study MSL Hoang LinhNguyen, Pham HongAn, Nguyen QuocThai, Huynh QuangLinh Journal of Molecular Graphics and Modelling, 2019 | 4 | 2019 |
| Investigation of binding affinity between prokaryotic proteins (AHU-IHF) and DNAs: Steered molecular dynamics approach H Nguyen, T Pham, HL Nguyen, T Phan Applied biochemistry and biotechnology 186 (4), 834-846, 2018 | 4 | 2018 |
| Erythromycin leads to differential protein expression through differences in electrostatic and dispersion interactions with nascent proteins HL Nguyen, DL Pham, EP O’Brien, MS Li Scientific reports 8 (1), 6460, 2018 | 4 | 2018 |
Mai Suan LiProfessor of Physics, Institute of Physics, Polish Academy of SciencesEmail được xác minh tại ifpan.edu.pl
