It is my pleasure on behalf of the ACS Division of Computers in Chemistry to announce the winners of the ChemicalComputing Group CCG Excellence Spring 2005 ACS San Diego ACS meeting. They are:
Anastassia Alexandrova - Department of Chemistry, Utah State University “Ab Initio Genetic Algorithm-based Elucidationof Multiply Aromatic Clusters” (Alexander I. Boldyrev)
Biggi Albrecht - Central Chemistry Laboratory, University of Oxford “Uncovering Networks within ProteinStructure” (Guy H. Grant)
Dechuan Zhuang - Department of Chemistry, RPI “Consensus Descriptor Selection under Multiple Objectives using LinearSupport Vector Regression” (Curt M. Breneman)
Hanbin Liu – Department of Chemistry, University of Pittsburgh “On the Convergence of a Hybrid Parallel TemperingTsallis Statistics Monte Carlo Algorithm” (Ken Jordan)
John Mongan – Department of Chemistry, University of California, San Diego “Discrete State Constant pH MolecularDynamics in Generalized Born Implicit Solvent” (J. Andrew McCammon)
Matt Sundling – Department of Chemistry, RPI ”PEST vs CoMFA: A Comparative Study of two 3D QSAR Technologies”(Curt M .Breneman)
Melinda Harrison - Department of Chemistry, Duquesne University ”A QM/MM’ Approach to Modeling the Zn(II)/Cu(I) Core of a Protein” (Jeff Evanseck)
Scott Yockel – Department of Chemistry, University of North Texas, Denton “Structures and Energetics of SmallThird-Row Molecules with Correlation-Consistent Basis Sets” (Angela Wilson)
Xianlong Vincent Wang – Department of Chemistry, Bryn Mawr College “Ab Initio Studies of Methyl and t-Butyl GroupInternal Rotation in Aromatic Molecular Crystals” (Frank Mallory)
Zunnan Huang – Department of Chemistry, University of Oklahoma “Trajectory-randomized Replica Canonical andMicrocanonical Ensembles Simulations and Limitations of MD simulations” (Ralph Wheeler)
Congratulations to the winners!! We look forward to seeing their talks and posters at the ACS Meeting in San Diego,California next Spring.
- Prof. Curt M. Breneman:
Treasurer, ACS COMP Division
RPI Department of Chemistry
110 8th St.
Troy, NY 12180.
brenec@rpi.edu