| Why are lopinavir and ritonavir effective against the newly emerged coronavirus 2019? Atomistic insights into the inhibitory mechanisms B Nutho, P Mahalapbutr, K Hengphasatporn, NC Pattaranggoon, ... Biochemistry 59 (18), 1769-1779, 2020 | 238 | 2020 |
| Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes B Nutho, W Khuntawee, C Rungnim, P Pongsawasdi, P Wolschann, ... Beilstein journal of organic chemistry 10 (1), 2789-2799, 2014 | 67 | 2014 |
| Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexes B Nutho, N Nunthaboot, P Wolschann, N Kungwan, T Rungrotmongkol RSC advances 7 (80), 50899-50911, 2017 | 28 | 2017 |
| Low susceptibility of asunaprevir towards R155K and D168A point mutations in HCV NS3/4A protease: A molecular dynamics simulation J Kammarabutr, P Mahalapbutr, B Nutho, N Kungwan, T Rungrotmongkol Journal of Molecular Graphics and Modelling 89, 122-130, 2019 | 27 | 2019 |
| Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: Molecular dynamics simulation P Wongpituk, B Nutho, W Panman, N Kungwan, P Wolschann, ... Molecular Simulation 43 (13-16), 1356-1363, 2017 | 27 | 2017 |
| Quantum Mechanics/Molecular Mechanics (QM/MM) calculations support a concerted reaction mechanism for the zika virus NS2B/NS3 serine protease with its substrate B Nutho, AJ Mulholland, T Rungrotmongkol The Journal of Physical Chemistry B 123 (13), 2889-2903, 2019 | 26 | 2019 |
| Molecular insights into inclusion complexes of mansonone E and H enantiomers with various β-cyclodextrins P Mahalapbutr, B Nutho, P Wolschann, W Chavasiri, N Kungwan, ... Journal of Molecular Graphics and Modelling 79, 72-80, 2018 | 26 | 2018 |
| Structural basis of specific glucoimidazole and mannoimidazole binding by Os3BGlu7 B Nutho, S Pengthaisong, A Tankrathok, VS Lee, JR Ketudat Cairns, ... Biomolecules 10 (6), 907, 2020 | 21 | 2020 |
| Computational screening of fatty acid synthase inhibitors against thioesterase domain W Panman, B Nutho, S Chamni, S Dokmaisrijan, N Kungwan, ... Journal of Biomolecular Structure and Dynamics 36 (15), 4114-4125, 2018 | 21 | 2018 |
| Binding recognition of substrates in NS2B/NS3 serine protease of Zika virus revealed by molecular dynamics simulations B Nutho, T Rungrotmongkol Journal of Molecular Graphics and Modelling 92, 227-235, 2019 | 20 | 2019 |
| Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics B Nutho, A Meeprasert, M Chulapa, N Kungwan, T Rungrotmongkol Journal of Biomolecular Structure and Dynamics 35 (8), 1743-1757, 2017 | 16 | 2017 |
| Structure–activity relationships and molecular docking analysis of Mcl-1 targeting renieramycin T analogues in patient-derived lung cancer cells K Petsri, M Yokoya, S Tungsukruthai, T Rungrotmongkol, B Nutho, ... Cancers 12 (4), 875, 2020 | 13 | 2020 |
| Encapsulation of α-tocopherol in large-ring cyclodextrin containing 26 α-D-glucopyranose units: A molecular dynamics study K Kerdpol, B Nutho, K Krusong, RP Poo-arporn, T Rungrotmongkol, ... Journal of Molecular Liquids 339, 116802, 2021 | 12 | 2021 |
| Susceptibility of inhibitors against 3C protease of coxsackievirus A16 and enterovirus A71 causing hand, foot and mouth disease: a molecular dynamics study W Jetsadawisut, B Nutho, A Meeprasert, T Rungrotmongkol, N Kungwan, ... Biophysical chemistry 219, 9-16, 2016 | 11 | 2016 |
| Insights into binding molecular mechanism of hemagglutinin H3N2 of influenza virus complexed with arbidol and its derivative: A molecular dynamics simulation perspective T Boonma, N Soikudrua, B Nutho, T Rungrotmongkol, N Nunthaboot Computational Biology and Chemistry 101, 107764, 2022 | 10 | 2022 |
| Bibenzyl analogue DS-1 inhibits MDM2-mediated p53 degradation and sensitizes apoptosis in lung cancer cells HE Putri, B Nutho, T Rungrotmongkol, B Sritularak, C Vinayanuwattikun, ... Phytomedicine 85, 153534, 2021 | 10 | 2021 |
| Delivery of alpha-mangostin using cyclodextrins through a biological membrane: Molecular dynamics simulation W Hotarat, B Nutho, P Wolschann, T Rungrotmongkol, S Hannongbua Molecules 25 (11), 2532, 2020 | 10 | 2020 |
| The reaction mechanism of Zika virus NS2B/NS3 serine protease inhibition by dipeptidyl aldehyde: a QM/MM study B Nutho, AJ Mulholland, T Rungrotmongkol Physical Chemistry Chemical Physics 21 (27), 14945-14956, 2019 | 9 | 2019 |
| Discovery of C-12 dithiocarbamate andrographolide analogues as inhibitors of SARS-CoV-2 main protease: In vitro and in silico studies B Nutho, P Wilasluck, P Deetanya, K Wangkanont, P Arsakhant, ... Computational and Structural Biotechnology Journal 20, 2784-2797, 2022 | 6 | 2022 |
| Titania Nanosheet Generates Peroxynitrite-Dependent S-Nitrosylation and Enhances p53 Function in Lung Cancer Cells R Soonnarong, S Tungsukruthai, B Nutho, T Rungrotmongkol, ... Pharmaceutics 13 (8), 1233, 2021 | 6 | 2021 |
