Simon J. Bennie|Kara E. Ranaghan|Helen M. Deeks|Heather E. Goldsmith|Michael B. O’Connor|Adrian J. Mulholland|David R. Glowacki
Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality
University of Bristol|University of Bristol|University of Bristol|University of Bristol|University of Bristol|University of Bristol|University of Bristol
reemergence virtual reality vr past years led affordable highquality commodity hardware offer new ways teach communicate engage complex concepts highereducation context immersive technologies make possible teach complex molecular topics way may aid even supersede traditional approaches molecular models textbook images traditional screenbased computational environments work describe study involving 22 thirdyear uk undergraduate chemistry students undertook traditional computational chemistry class complemented additional component designed utilize realtime interactive molecular dynamics simulations vr imdvr exploiting flexibility opensource imdvr framework recently described students given three short tasks complete imdvr 1 interactive rearrangement chorismate molecule prephenate using forces obtained density functional theory calculations 2 unbinding chorismate active site chorismate mutase enzyme using molecular mechanics forces calculated realtime 3 docking chorismate chorismate mutase using realtime molecular mechanics forces student survey indicated students found imdvr component engaging traditional approach also improved perceived educational outcomes interest continuing field computational sciences