The COMP Division is excited to announce the OpenEye Award winners for the San Francisco ACS meeting (fall 2014). Please visit the COMP award winners and the other excellent COMP posters at the COMP Poster Session on Tuesday, August 12, 2014 from 6pm to 8pm at a location to be determined.
How the walls come crumbling down: Elucidating mechanisms of cellulose-active enzymes using molecular simulation. Gregg T Beckham, National Renewable Energy Laboratory, National Bioenergy Center, Golden, Colorado
Quantum fluctuations in hydrogen bond networks: from atmospheric science to enzyme catalysis. Thomas E Markland, Department of Chemistry, Stanford University, Stanford, California
Affordable multiscale free energy simulations: A novel method that efficiently connects low level sampling to QM/MM via Non-Boltzmann Bennett reweighting. Henry Lee Woodcock, University of South Florida, Department of Chemistry, Tampa, Florida
Targeting membrane interfaces for computer-aided drug design and drug delivery applications. Zoe Cournia, Biomedical Research Foundation of the Academy of Athens, Pharmacology, Athens, Greece