Trung Hai Nguyen

Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity

Nguyen Thanh Nguyen, Trung Hai Nguyen, T. Ngoc Han Pham et al. · Journal of Chemical Information and Modeling · 2019 · 428 citations

Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion

Chao Zhang, Denis G. Knyazev, Yana A. Vereshaga et al. · Proceedings of the National Academy of Sciences · 2012 · 132 citations

Hydrophobic Interfaces, Surface-to-bulk Transfer, Engineering +23

Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV-2 Mpro

Sơn Tùng Ngô, Nguyễn Minh Tâm, Phạm Minh Quân et al. · Journal of Chemical Information and Modeling · 2021 · 95 citations

FFPF: fairly fast packet filters

Herbert Bos, Willem de Bruijn, Mihai Cristea et al. · 2004 · 78 citations

Origin of proton affinity to membrane/water interfaces

Ewald Weichselbaum, Maria Österbauer, Denis G. Knyazev et al. · Scientific Reports · 2017 · 76 citations · Full text