Jacquelyn Klug‐McLeod
Pfizer (United States)(US)PRX Research
Publications by Year
Research Areas
Computational Drug Discovery Methods, Innovative Microfluidic and Catalytic Techniques Innovation, Machine Learning in Materials Science, Chemical Synthesis and Analysis, Protein Kinase Regulation and GTPase Signaling
Most-Cited Works
- → Kinase hinge binding scaffolds and their hydrogen bond patterns(2015)183 cited
- → Molecular Transformer unifies reaction prediction and retrosynthesis across pharma chemical space(2019)141 cited
- → The Development of Structure-Activity Relationships for Mitochondrial Dysfunction: Uncoupling of Oxidative Phosphorylation(2012)84 cited
- → Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): Structure–activity relationships and strategies for the elimination of reactive metabolite formation(2008)51 cited
- → Integrated in Silico−in Vitro Strategy for Addressing Cytochrome P450 3A4 Time-Dependent Inhibition(2010)50 cited
- → Probing the chemical ‘reactome’ with high-throughput experimentation data(2024)42 cited
- → Shaping a Screening File for Maximal Lead Discovery Efficiency and Effectiveness: Elimination of Molecular Redundancy(2012)40 cited
- → Quick Building Blocks (QBB): An Innovative and Efficient Business Model To Speed Medicinal Chemistry Analog Synthesis(2019)31 cited
- → Project-Focused Activity and Knowledge Tracker: A Unified Data Analysis, Collaboration, and Workflow Tool for Medicinal Chemistry Project Teams(2009)17 cited
- → Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors(2012)17 cited