Top Leads for Swine Influenza A/H1N1 Virus Revealed by Steered Molecular Dynamics Approach. - Binh Khanh Mai; Man Hoang Viet; Mai Suan Li (J. Chem. Inf. Model., 2010)

Study of Tamiflu Sensitivity to Variants of A/H5N1 Virus Using Different Force Fields. - Trang Truc Nguyen; Binh Khanh Mai; Mai Suan Li (J. Chem. Inf. Model., 2011)

d-Wave Superconductivity and s-Wave Charge Density Waves: Coexistence between Order Parameters of Different Origin and Symmetry. - Toshikazu Ekino; Alexander M. Gabovich; Mai Suan Li; Marek Pekala; Henryk Szymczak; Alexander I. Voitenko (Symmetry, 2011)

A New Method for Navigating Optimal Direction for Pulling Ligand from Binding Pocket: Application to Ranking Binding Affinity by Steered Molecular Dynamics. - Quan Van Vuong; Tin Trung Nguyen; Mai Suan Li (J. Chem. Inf. Model., 2015)

Discovery of DNA dyes Hoechst 34580 and 33342 as good candidates for inhibiting amyloid beta formation: in silico and in vitro study. - Nguyen Quoc Thai; Ning-Hsuan Tseng; Mui Thi Vu; Tin Trung Nguyen; Huynh Quang Linh; Chin-Kun Hu; Yun-Ru Chen; Mai Suan Li (J. Comput. Aided Mol. Des., 2016)

Anti-arrhythmic Medication Propafenone a Potential Drug for Alzheimer's Disease Inhibiting Aggregation of Aβ: In Silico and in Vitro Studies. - Son Tung Ngo 002; Shang-Ting Fang; Shu-Hsiang Huang; Chao-Liang Chou; Pham Dinh Quoc Huy; Mai Suan Li; Yi-Cheng Chen (J. Chem. Inf. Model., 2016)

Fast Estimation of the Blood-Brain Barrier Permeability by Pulling a Ligand through a Lipid Membrane. - Nguyen Quoc Thai; Panagiotis E. Theodorakis; Mai Suan Li (J. Chem. Inf. Model., 2020)

Binding of SARS-CoV-1/2 NSP1 to DNA Polymerase α-Primase Inhibits DNA Replication through Reduction of Interaction between DNA and DNA Polymerase α-Primase. - Hung Van Nguyen; Nguyen Le Ngoc Lan; Mai Suan Li (J. Chem. Inf. Model., 2025)