Autodock vina adopts more accurate binding poses but autodock4 forms better binding affinity NT Nguyen, TH Nguyen, TNH Pham, NT Huy, MV Bay, MQ Pham, ... Journal of Chemical Information and Modeling 60 (1), 204-211, 2019 | 298 | 2019 |
Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations MQ Pham, KB Vu, TNH Pham, LH Tran, NT Tung, VV Vu, TH Nguyen, ... RSC advances 10 (53), 31991-31996, 2020 | 42 | 2020 |
Improving ligand‐ranking of AutoDock Vina by changing the empirical parameters TNH Pham, TH Nguyen, NM Tam, T Y. Vu, NT Pham, NT Huy, BK Mai, ... Journal of Computational Chemistry 43 (3), 160-169, 2022 | 26 | 2022 |
Searching for AChE inhibitors from natural compounds by using machine learning and atomistic simulations QM Thai, TNH Pham, DM Hiep, MQ Pham, PT Tran, TH Nguyen, ST Ngo Journal of Molecular Graphics and Modelling 115, 108230, 2022 | 7 | 2022 |