Jacquelyn Klug‐McLeod

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

Molecular Transformer unifies reaction prediction and retrosynthesis across pharma chemical space

Alpha A. Lee, Qingyi Yang, Vishnu Sresht et al. · Chemical Communications · 2019 · 140 citations

The Development of Structure-Activity Relationships for Mitochondrial Dysfunction: Uncoupling of Oxidative Phosphorylation

Russell Naven, Rachel Swiss, Jacquelyn Klug‐McLeod et al. · Toxicological Sciences · 2012 · 84 citations · Full text

Mitochondrial Dysfunction, Molecular Biology, Chemical Biology +18

Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): Structure–activity relationships and strategies for the elimination of reactive metabolite formation

Daniel P. Walker, F. Christopher Bi, Amit S. Kalgutkar et al. · Bioorganic & Medicinal Chemistry Letters · 2008 · 51 citations · Full text

Molecular Pharmacology, Medicinal Chemistry, Biochemistry +9

Integrated in Silico−in Vitro Strategy for Addressing Cytochrome P450 3A4 Time-Dependent Inhibition

Michael Zientek, Chad Stoner, Robyn R. Ayscue et al. · Chemical Research in Toxicology · 2010 · 50 citations

Automated Assay, Drug Target, Time-dependent Inhibition +18