Xing Li

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

Thomas J. Struble, Juan C. Alvarez, Scott P. Brown et al. · Journal of Medicinal Chemistry · 2020 · 236 citations · Full text

Kinase hinge binding scaffolds and their hydrogen bond patterns

Xing Li, Jacquelyn Klug‐McLeod, Elizabeth A. Lunney · Bioorganic & Medicinal Chemistry · 2015 · 181 citations

Kinase Hinge, Protein Folding, Hydrogen Bond +4

Influence of Molecular Flexibility and Polar Surface Area Metrics on Oral Bioavailability in the Rat

Jing Lü, Kimberly Crimin, Jay T. Goodwin et al. · Journal of Medicinal Chemistry · 2004 · 165 citations

Medicinal Chemistry, Oral Bioavailability, Pharmaceutical Science +14

Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors

Sho Iketani, F. Forouhar, Hengrui Liu et al. · Nature Communications · 2021 · 108 citations · Full text

Protease Inhibitors, Lead Compounds, Combinatorial Chemistry +13

Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics

Wan F. Lau, Jane M. Withka, David Hepworth et al. · Journal of Computer-Aided Molecular Design · 2011 · 61 citations

Targeted Library, Molecular Characterization, Biochemistry +13