Abbigayle E. Cuomo

Free Energy Landscapes from SARS-CoV-2 Spike Glycoprotein Simulations Suggest that RBD Opening Can Be Modulated via Interactions in an Allosteric Pocket

Lucy Fallon, Kellon Belfon, Lauren Raguette et al. · Journal of the American Chemical Society · 2021 · 76 citations · Full text

Life Sciences, Biophysics, Infectious Diseases +17

Total Synthesis of (+)-Shearilicine

Daria E. Kim, Yingchuan Zhu, Shingo Harada et al. · Journal of the American Chemical Society · 2023 · 20 citations · Full text

Pharmacy, Medicinal Chemistry, Drug Discovery +13

Feed-Forward Neural Network for Predicting Enantioselectivity of the Asymmetric Negishi Reaction

Abbigayle E. Cuomo, Sebastian Ibarraran, Sanil Sreekumar et al. · ACS Central Science · 2023 · 20 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +13

phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids

Lauren Raguette, Abbigayle E. Cuomo, Kellon Belfon et al. · Journal of Chemical Theory and Computation · 2024 · 18 citations · Full text

Life Sciences, Biochemistry, Biophysics +17

Ligand-Based Principal Component Analysis Followed by Ridge Regression: Application to an Asymmetric Negishi Reaction

H. Ray Kelly, Sanil Sreekumar, Vidhyadhar Manee et al. · ACS Catalysis · 2024 · 13 citations

Pharmacy, Chemical Engineering, Chemistry +16