Jacquelyn Klug‐McLeod

Kinase hinge binding scaffolds and their hydrogen bond patterns

Xing Li, Jacquelyn Klug‐McLeod, Elizabeth A. Lunney · Bioorganic & Medicinal Chemistry · 2015 · 187 citations

Life Sciences, Biochemistry, Molecular Biology +14

Molecular Transformer unifies reaction prediction and retrosynthesis across pharma chemical space

Alpha A. Lee, Qingyi Yang, Vishnu Sresht et al. · Chemical Communications · 2019 · 143 citations

Natural Sciences, Chemistry, Computational Chemistry +10

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

Life Sciences, Medicinal Chemistry, Pharmacology +17

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 · 53 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +16

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

Pharmacy, Pharmacokinetics, Pharmacology +17