Gregory W. Kyro

HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein–Ligand Binding Affinity Prediction

Gregory W. Kyro, Rafael I. Brent, Víctor S. Batista · Journal of Chemical Information and Modeling · 2023 · 63 citations

MDiGest: A Python package for describing allostery from molecular dynamics simulations

Federica Maschietto, Brandon Allen, Gregory W. Kyro et al. · The Journal of Chemical Physics · 2023 · 25 citations · Full text

Quantum convolutional neural networks for multi-channel supervised learning

Anthony M. Smaldone, Gregory W. Kyro, Victor S. Batista · Quantum Machine Intelligence · 2023 · 24 citations

Quantum Science, Engineering, Quantum Computing +4

Structural Basis for Reduced Dynamics of Three Engineered HNH Endonuclease Lys-to-Ala Mutants for the Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-Associated 9 (CRISPR/Cas9) Enzyme

Jimin Wang, Erin Skeens, Pablo R. Arantes et al. · Biochemistry · 2022 · 17 citations · Full text

Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase

Federica Maschietto, Uriel N. Morzan, Florentina Tofoleanu et al. · Nature Communications · 2023 · 16 citations · Full text