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)

Impact of the Astaxanthin, Betanin, and EGCG Compounds on Small Oligomers of Amyloid Aβ40 Peptide. - Huynh Minh Hung; Minh Tho Nguyen; Phuong-Thao Tran; Vi Khanh Truong; James Chapman 004; Le Huu Quynh Anh; Philippe Derreumaux; Van V. Vu; Son Tung Ngo 002 (J. Chem. Inf. Model., 2020)

Computational Determination of Potential Inhibitors of SARS-CoV-2 Main Protease. - Son Tung Ngo 002; Ngoc Quynh Anh Pham; Ly Thi Le; Duc-Hung Pham; Van V. Vu (J. Chem. Inf. Model., 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)

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)