BioinformaticsScientific ReportsPeer-reviewed
Thinking like a structural biologist: A pocket-based 3D molecule generative model fueled by electron density
Lvwei Wang, Rong Bai, Xiaoxuan Shi…·Bo Huang
The paper introduces a 3D molecule generative model using electron density data to create drug-like molecules that match target protein pockets and active compounds.
22 citations