Choosing unlabeled examples for SemiBoost using modified cuckoo search algorithms. - Trung Hai Nguyen; Thanh-Binh Le; Sang-Woon Kim (ICNC-FSKD, 2016)

Using the fast fourier transform in binding free energy calculations. - Trung Hai Nguyen; Huan-Xiang Zhou; David D. L. Minh (J. Comput. Chem., 2018)

Oversampling Free Energy Perturbation Simulation in Determination of the Ligand-Binding Free Energy. - Son Tung Ngo 002; Trung Hai Nguyen; Nguyen Thanh Tung; Pham Cam Nam; Khanh B. Vu; Van V. Vu (J. Comput. Chem., 2020)

Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity. - Nguyen Thanh Nguyen; Trung Hai Nguyen; T. Ngoc Han Pham; Nguyen Truong Huy; Mai Van Bay; Minh Quan Pham; Pham Cam Nam; Van V. Vu; Son Tung Ngo 002 (J. Chem. Inf. Model., 2020)

Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV-2 Mpro. - Son Tung Ngo 002; Nguyen Minh Tam; Minh Quan Pham; Trung Hai Nguyen (J. Chem. Inf. Model., 2021)

Improving ligand-ranking of AutoDock Vina by changing the empirical parameters. - T. Ngoc Han Pham; Trung Hai Nguyen; Nguyen Minh Tam; Thien Y. Vu; Nhat Truong Pham; Nguyen Truong Huy; Binh Khanh Mai; Nguyen Thanh Tung; Minh Quan Pham; Van V. Vu; Son Tung Ngo 002 (J. Comput. Chem., 2022)

Morphology of a Transmembrane Aβ42 Tetramer via REMD Simulations. - Son Tung Ngo 002; Trung Hai Nguyen; Van V. Vu (J. Chem. Inf. Model., 2023)