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Abby L. Parrill
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Abby L. Parrill integrates computational biology and structural biology to accelerate small-molecule discovery. Focus areas include GPCR and ion-channel pharmacology, protein structure modeling and prediction, structure- and ligand-based virtual screening, pharmacophore design, docking, and data-driven assay validation.
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G Protein-Coupled Receptor–Ligand Pose and Functional Class Prediction
International Journal of Molecular Sciences
•2024
Structure-based pharmacophore modeling 2. Developing a novel framework for structure-based pharmacophore model generation and selection
2023
Application of computational methods for class A GPCR Ligand discovery
2023
Structure-based pharmacophore modeling 1. Automated random pharmacophore model generation
2023
Primary Sequence and Tertiary Structural Clustering Comparison within Nicotinamide Adenine Dinucleotide Binding Rossmann Fold Proteins
2023
Discovery of agonist–antagonist pairs for the modulation of Ca [2]+ and voltage-gated K+ channels of large conductance that contain beta1 subunits
Bioorganic & Medicinal Chemistry
•2022
A Method for Automated Pharmacophore Model Generation Using Multiple Copy Simultaneous Search
2022
Automated, Score‐Based Pharmacophore Generation Using Multiple Copy Simultaneous Search
2022
Index
2022
Front Matter
2022
Development of Agonist-Antagonist Pairs for the Modulation of Ca <sup>2+</sup> and Voltage-Gated K <sup>+</sup> Channels of Large Conductance that Contain Beta1 Subunits
2022
Self-docking and cross-docking simulations of G protein-coupled receptor-ligand complexes: Impact of ligand type and receptor activation state
2021
Ligand-based G Protein Coupled Receptor pharmacophore modeling: Assessing the role of ligand function in model development
2021
NanoLuc (NLuc) complementation assay elucidates role of specific G‐proteins in GPR88 signaling
2021
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