https://deepai.org/publication/protein-ligand-docking-surrogate-models-a-sars-cov-2-benchmark-for-deep-learning-accelerated-virtual-screening
Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated...
Jun 13, 2021 - 06/13/21 - We propose a benchmark to study surrogate model accuracy for protein-ligand docking. We share a dataset consisting of 200 million ...
protein ligand docking
https://pmc.ncbi.nlm.nih.gov/articles/PMC7534544/
Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations - PMC
Structure-based virtual screening (SBVS) relies on classical scoring functions that often fail to reliably discriminate binders from non-binders. In this work,...
protein ligand docking