361 citations · 954 across the 20 of their papers we have counts for
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Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
Bowen Jing, Tommi Jaakkola, Bonnie Berger
Molecular docking is critical to structure-based virtual screening, yet the throughput of such workflows is limited by the expensive optimization of scoring functions involved in m…
Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design
Hannes Stärk, Bowen Jing, Regina Barzilay +1
A significant amount of protein function requires binding small molecules, including enzymatic catalysis. As such, designing binding pockets for small molecules has several impactf…
EigenFold: Generative Protein Structure Prediction with Diffusion Models
Bowen Jing, Ezra Erives, Peter Pao-Huang +3
Protein structure prediction has reached revolutionary levels of accuracy on single structures, yet distributional modeling paradigms are needed to capture the conformational ensem…