1 citations · 1 across the 2 of their papers we have counts for
3 papers
q-bio.BM2025
Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models
Xinzhe Zheng, Shiyu Jiang, Gustavo Seabra +2
Deep generative models are rapidly advancing structure-based drug design, offering substantial promise for generating small molecule ligands that bind to specific protein targets.…
cs.LG2025
DecoyDB: A Dataset for Graph Contrastive Learning in Protein-Ligand Binding Affinity Prediction
Yupu Zhang, Zelin Xu, Tingsong Xiao +4
Predicting the binding affinity of protein-ligand complexes plays a vital role in drug discovery. Unfortunately, progress has been hindered by the lack of large-scale and high-qual…
q-bio.QM2024★ 1 cited
Morphological Profiling for Drug Discovery in the Era of Deep Learning
Qiaosi Tang, Ranjala Ratnayake, Gustavo Seabra +9
Morphological profiling is a valuable tool in phenotypic drug discovery. The advent of high-throughput automated imaging has enabled the capturing of a wide range of morphological…