BiophysicsJournal of the American Chemical SocietyPeer-reviewed
Molecular dynamics unveils multiple-site binding of inhibitors with reduced activity on the surface of dihydrofolate reductase
Mitsugu Araki, Toru Ekimoto, Kazuhiro Takemura…·Yasushi Okuno
This study uses molecular dynamics to analyze inhibitor binding to DHFR, showing that reduced activity correlates with multiple-bound states on the protein surface.