Chemical Computing Group (CCG)
Excellence Award
March 2003, New Orleans
 Curt Breneman, COMP Treasurer, thanks CCG for their continued support of COMP!! |  2003 COMP Chair Peter Grootenhuis and CCG's Director of Marketing Pam Newton demonstrate the certificate and softwareprovided to Awardees. |  Bentley StrockbineDepartment of Pharmacological Sciences, Stony Brook University"Advances in Structure Prediction Techniques"Carlos Simmerling, Department of Chemistry, SUNY at Stony Brook |
 Bentley Strockbine |  Ivaylo N. IvanovCenter for Molecular Modeling and Department of Chemistry, University of Pennsylvania"Relative pKs from First Principles Molecular Dynamics: The Case of Histidine Deprotonation"Michael L. Klein, Director and Hepburn Professor of Physical Science, University of Pennsylvania |  Ivaylo N. Ivanov |
 Guanglei Cui - Department of Chemistry, SUNY at Stony Brook "The Complicated Folding of a Simple Peptide Studied byMultiple Folding Simulations and Replica Exchange Approach"Carlos Simmerling, Department of Chemistry, SUNY at Stony Brook |  Guanglei Cui |  Christine AikensDepartment of Chemistry, Iowa State University"Molecular Electronic Structure and Magnetic Properties of Y2Ti(µ-X)2TiY2 (X,Y = H,F,Cl,Br) Isomers"Mark S. Gordon, Department of Chemistry, Iowa State University |
 Christine Aikens |  Nicolae-Viorel BucheteDepartment of Chemistry, Boston University"The Effect of Relative Side Chain Orientations on the Ability of Statistical Potentials to Identify Native-LikeStructures of Proteins"John E. Straub, Boston University |  Nicolae-Viorel Buchete |
 Bill KattDepartment of Chemistry, Rensselaer Polytechnic Institute"Optimization of Molecular Properties Through Structural Mutation and Virtual Screening with QSAR Models"Curt M. Breneman, Department of Chemistry, Rensselaer Polytechnic Institute |  Bill Katt |  Bethany KormosDepartment of Chemistry, University of Minnesota"Utilizing Density Functional Theory to Study Nucleophilic Substitution Reactions: Optimization of an AdiabaticConnection Method and its Application"Christopher J. Cramer, Department of Chemistry, University of Minnesota |
 Bethany Kormos |  Zhigang ZhouDepartment of Chemistry, Duquesne University"Resistant Effect Exploring of HIV-1 RT Mutation by Molecular Dynamics"Jeffry D. Madura, Department of Chemistry and Biochemistry, Duquesne University |  Zhigang Zhou |
 Min WuDepartment of Chemistry, New York University"Structural Studies of an Environmental Carcinogen within a Y Family Bypass DNA Polymerase"Suse Broyde, Department of Biology, New York University |  Min Wu |  Haitao Dong, Department of Chemistry and Biochemistry, The University of Oklahoma"Quasiharmonic Vibrations of Water, Water Clusters, and Liquid Water from Principal Component Analysis of Quantum orQM/MM Trajectories"Ralph A. Wheeler, Department of Chemistry and Biochemistry, The University of Oklahoma Sadly, I inadvertently deleted Mr. Dong's award presentation photo. My sincere apologies to Mr. Dong and Dr. Wheeler. |
 At the CCG Awards Dinner |  At the CCG Awards Dinner |  At the CCG Awards Dinner |
 At the CCG Awards Dinner |  At the CCG Awards Dinner |  At the CCG Awards Dinner |
 At the CCG Awards Dinner |  At the CCG Awards Dinner |  At the CCG Awards Dinner |
 At the CCG Awards Dinner |  At the CCG Awards Dinner |  At the CCG Awards Dinner |
 At the CCG Awards Dinner |
All photos copyright and courtesy of David Spellmeyer.