Quantum Approximated Graph Cutting: A Rapid Replacement for T-REMD?
Samarth Sandeep, Sona Aramyan, Armen H. Poghosyan, Vaibhav Gupta
This study evaluates whether quantum-hybrid algorithms can approximate T-REMD results for determining protein binding sites, finding speedups but differing outcomes due to lack of configurational changes.
bioRxiv · Dec 11, 2020 · PreprintBioinformatics