74 citations · 123 across the 6 of their papers we have counts for
3 papers · 1 filter
A Model-Centric Review of Deep Learning for Protein Design
Gregory W. Kyro, Tianyin Qiu, Victor S. Batista
Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein struct…
CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability
Gregory W. Kyro, Matthew T. Martin, Eric D. Watt +1
The link between in vitro hERG ion channel inhibition and subsequent in vivo QT interval prolongation, a critical risk factor for the development of arrythmias such as Torsade de P…
ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation
Gregory W. Kyro, Anton Morgunov, Rafael I. Brent +1
The incredible capabilities of generative artificial intelligence models have inevitably led to their application in the domain of drug discovery. Within this domain, the vastness…