2 citations · 2 across the 2 of their papers we have counts for
3 papers
cs.LG2026
A Large-Scale Dataset and Benchmark: Do Protein-Ligand Models Learn Binding Sites or Just Binding Likelihood?
Zhaohan Meng, Zhen Bai, Ke Yuan +4
Protein-ligand modeling underpins computational drug discovery and molecular design. Existing protein-ligand benchmarks typically evaluate whether a protein and ligand interact and…
quant-ph2023★ 2 cited
Disease Gene Prioritization With Quantum Walks
Harto Saarinen, Mark Goldsmith, Rui-Sheng Wang +2
Disease gene prioritization assigns scores to genes or proteins according to their likely relevance for a given disease based on a provided set of seed genes. Here, we describe a n…
q-bio.QM2023
Drugst.One -- A plug-and-play solution for online systems medicine and network-based drug repurposing
Andreas Maier, Michael Hartung, Mark Abovsky +36
In recent decades, the development of new drugs has become increasingly expensive and inefficient, and the molecular mechanisms of most pharmaceuticals remain poorly understood. In…