11 citations · 28 across the 12 of their papers we have counts for
3 papers · 1 filter
Molecule Generation with Fragment Retrieval Augmentation
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham +5
Fragment-based drug discovery, in which molecular fragments are assembled into new molecules with desirable biochemical properties, has achieved great success. However, many fragme…
BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery
Peter St. John, Dejun Lin, Polina Binder +89
Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increas…
General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design
Yue Jian, Curtis Wu, Danny Reidenbach +1
Structure-based drug design (SBDD) aims to generate ligands that bind strongly and specifically to target protein pockets. Recent diffusion models have advanced SBDD by capturing t…