4 citations · 4 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2020
Quantum Simulations of SARS-CoV-2 Main Protease Mpro Enable Accurate Scoring of Diverse Ligands
Yuhang Wang, Sruthi Murlidaran, David A. Pearlman
The COVID-19 pandemic has led to unprecedented efforts to identify drugs that can reduce its associated morbidity/mortality rate. Computational chemistry approaches hold the potent…
physics.chem-ph2020★ 4 cited
Novel algorithms and high-performance cloud computing enable efficient fully quantum mechanical protein-ligand scoring
Narbe Mardirossian, Yuhang Wang, David A. Pearlman +2
Ranking the binding of small molecules to protein receptors through physics-based computation remains challenging. Though inroads have been made using free energy methods, these fa…