Perspectives on High-Throughput Ligand/Protein Docking With Martini MD Simulations
Sign Up to like & getrecommendations! Published in 2021 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2021.657222
Abstract: Molecular docking is central to rational drug design. Current docking techniques suffer, however, from limitations in protein flexibility and solvation models and by the use of simplified scoring functions. All-atom molecular dynamics simulations, on the… read more here.
Keywords: protein; throughput ligand; protein docking; perspectives high ... See more keywords