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Gregory W Kyro

Showing results (1-10 of 15) with videos related to

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Journal of Chemical Information and Modeling|March 29, 2023
HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity PredictionGregory W Kyro, Rafael I Brent, Victor S Batista
Nature Computational Science|January 4, 2024
The landscape of computational approaches for artificial photosynthesisKe R Yang, Gregory W Kyro, Victor S Batista
Journal of Chemical Information and Modeling|January 30, 2024
ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular GenerationGregory W Kyro, Anton Morgunov, Rafael I Brent, et al.
The Journal of Chemical Physics|June 5, 2023
MDiGest: A Python package for describing allostery from molecular dynamics simulationsFederica Maschietto, Brandon Allen, Gregory W Kyro, et al.
Arxiv|September 25, 2023
ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular GenerationGregory W Kyro, Anton Morgunov, Rafael I Brent, et al.
Journal of Chemical Information and Modeling|February 18, 2025
T-ALPHA: A Hierarchical Transformer-Based Deep Neural Network for Protein-Ligand Binding Affinity Prediction with Uncertainty-Aware Self-Learning for Protein-Specific AlignmentGregory W Kyro, Anthony M Smaldone, Yu Shee, et al.
Journal of Cheminformatics|March 5, 2025
CardioGenAI: a machine learning-based framework for re-engineering drugs for reduced hERG liabilityGregory W Kyro, Matthew T Martin, Eric D Watt, et al.
Journal of Chemical Theory and Computation|January 6, 2026
FragmentRetro: A Quadratic Retrosynthetic Method Based on Fragmentation AlgorithmsYu Shee, Anthony M Smaldone, Anton Morgunov, et al.
Journal of Chemical Theory and Computation|May 7, 2025
A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular GenerationAnthony M Smaldone, Yu Shee, Gregory W Kyro, et al.
Journal of Chemical Theory and Computation|July 31, 2025
Correction to "A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular Generation"Anthony M Smaldone, Yu Shee, Gregory W Kyro, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
Journal of Chemical Information and Modeling|March 29, 2023
HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity PredictionGregory W Kyro, Rafael I Brent, Victor S Batista
Nature Computational Science|January 4, 2024
The landscape of computational approaches for artificial photosynthesisKe R Yang, Gregory W Kyro, Victor S Batista
Journal of Chemical Information and Modeling|January 30, 2024
ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular GenerationGregory W Kyro, Anton Morgunov, Rafael I Brent, et al.
The Journal of Chemical Physics|June 5, 2023
MDiGest: A Python package for describing allostery from molecular dynamics simulationsFederica Maschietto, Brandon Allen, Gregory W Kyro, et al.
Arxiv|September 25, 2023
ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular GenerationGregory W Kyro, Anton Morgunov, Rafael I Brent, et al.
Journal of Chemical Information and Modeling|February 18, 2025
T-ALPHA: A Hierarchical Transformer-Based Deep Neural Network for Protein-Ligand Binding Affinity Prediction with Uncertainty-Aware Self-Learning for Protein-Specific AlignmentGregory W Kyro, Anthony M Smaldone, Yu Shee, et al.
Journal of Cheminformatics|March 5, 2025
CardioGenAI: a machine learning-based framework for re-engineering drugs for reduced hERG liabilityGregory W Kyro, Matthew T Martin, Eric D Watt, et al.
Journal of Chemical Theory and Computation|January 6, 2026
FragmentRetro: A Quadratic Retrosynthetic Method Based on Fragmentation AlgorithmsYu Shee, Anthony M Smaldone, Anton Morgunov, et al.
Journal of Chemical Theory and Computation|May 7, 2025
A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular GenerationAnthony M Smaldone, Yu Shee, Gregory W Kyro, et al.
Journal of Chemical Theory and Computation|July 31, 2025
Correction to "A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular Generation"Anthony M Smaldone, Yu Shee, Gregory W Kyro, et al.
Pageof 2