Austin / Irvine / Boston / Palo Alto / Lyngby / Juelich / Cambridge / Los Angeles / Messina / ERR / Orono / Baltimore / New York / Forschungszentrum Juelich / La Jolla / Wilmington / San Diego / Philadelphia / East Windsor / San Francisco / Summit / Berkeley / New / Beaverton / Menlo Park / Richland / /
Technical University / University of Maine / W. R. Wiley Environmental Molecular Sciences Laboratory / Pennsylvania State University / Nieuwland Science Hall / University of Messina / University of Michigan / University of California / Harvard University / University of Tennessee / University of Notre Dame / Boston University / University of Lund / The Scripps Research Institute / University of Wisconsin-Madison / University of Utah / Columbia University / Skaggs Hall / University Ave. / University of North Carolina / NASA-Ames Research Center / University of Notrre Dame / University of Texas / University School / Buehler Hall / University of Notre Dame Quantum-dot / College Rd / University Avenue / University of Memphis / Technical University of Denmark / The University of Akron / University Park / University of Minnesota / University of Maryland / Seoul National University / / /
IndustryTerm
pharmaceutical industry / opto-electronic applications / throughput systems / protein main chain / quantum chemical description / potential energy functions / energy / systematic search / potential energy expressions / genomic technologies / metal-dot cells / real time dynamics / genome-wide pharmaceutical discovery program / molecular electronics / chemical scaffolds / gas phase / ab initio quantum chemical data / experimental and computational technologies / free energy / potential energy considerations / organotransition metal complexes containing metal-ligand single / molecular electronic devices / parallel processing / transition metal complexes / electronic and optoelectronic devices / chemical and physical basis / polymer systems / metal-ligand bonding environment / chemical bonding effects / ionic systems / biomolecular systems / free energy surfaces / electrostatic potential energy / functional devices / virtual screening tools / semiconductor technology / biochemical systems / energy minimization / mouse knockout technology / fabrication protocol / Mixed-valence metal complexes / heterogeneous systems / metal ion hosts / potential energy / molecular computing / chemical characteristics functional sites / potential energy surface / computing / metal complexes / mouse knockout technologies / large scale and biochemical systems / metal-catalyzed reactions / molecular electronics components / conformational searching algorithms / recent case law relating / pharmaceutical researchers / important systems / pharmaceutical / healthcare / molecular-weight chemical scaffolds / targeted metal ions / chemical potential equalization / metal types / nucleic acid systems / molecule building algorithm / switchable tunnel junction devices / aqueous and biomolecular systems / energy determination / liquid and solid xenon solution / /
MedicalCondition
tumor / diabetes / diseases / commercially important disease / reproductive diseases / disease / cancer / MS / human disease / /
Technical University of Denmark / University of California / Department of Molecular Biology and Biochemistry / University of Maryland / University of Michigan / Institute for Theoretical Chemistry / Department of Mathematics and Statistics / University of Utah / Department of Molecular Biology / Washington University School of Medicine / University of Notre Dame Quantum-dot / Department of Bioengineering / United States Patent Office / American Chemical Society Division of Computers / Henry Eyring Center for Theoretical Chemisrty / School of Materials Science and Engineering / Pennsylvania State University / Department of Theoretical Chemistry / University of Tennessee / Yale University / School of Pharmacy / University of Notre Dame Computers / Department of Biochemistry / W. R. Wiley Environmental Molecular Sciences Laboratory / Scripps Research Institute / NASA Center for Computational Astrobiology / University of Wisconsin / Columbia University / University of Messina / Technical University / University of California / Irvine / University of Notrre / Department of Chemistry / Seoul National University / Seoul / University of Memphis / Memphis / University of Memphis Transition / Department of Pharmaceutical Sciences / University of Lund / Boston University / Biophysics Research Division / Department of Electrical Engineering / Chemistry & Henry Eyring Center for Theoretical Chemistry / University of Texas / Harvard University / Cornell / University of California / Berkeley / Department of Physics / University of North Carolina at Wilmington / National Aeronautics and Space Administration / Department of Chemistry and Biochemistry / Department of Medicinal Chemistry / University of Akron / University of Notre Dame / University of Maine / University of Minnesota / /
Person
Deborah Kallick / Susan M. Baxter / Aaron M. Gillespie / Keith Burdick / Alex M. Smondyrev / William L. Jorgensen / Thomas Cundari / Beth Isaksen / Richard A. Friesner / Charles L. Brooks III / Robert B. Murphy / Jon Maple / Romain Wolf / Henri Poincare / Daniela Russo / Brian Hoffman / Glenn R. Morello / Stacy Knutson / Semi-Empirical Molecular Orbital / Wolfgang Damm / Sharon Hammes-Schiffer / Harry A. Stern / Peter Domaille / Malcolm B. Gillies / Sudha Chellamma / Christophe Chipot / Jacquelyn Fetrow / AMBER UA / George Kaminski / Wendy Cornell / Greg L.B. Hura / Bruce J. Berne / Gary Bernstein / David White / Geoffrey S. Ginsburg / Ray Luo / Stephen Betz / Michael A. Wilson / Craig S. Lent / Darrin M. York / Ola Norrby / Terry R. Stouch / Clark R. Landis / Thomas A. Halgren / Andrew Pohorille / Marya Lieberman / Gregory A. Voth / Peter A. Kollman / Craig C. Martens / Tod Klingler / Alicia A. Russo / Chalermchai Khemtong / Stephen W. Kaldor / Ning Yu / George D. Purvis III / David F. Coker / Jay W. Ponder / Michael V. Milburn / Noemi G. Mirkin / Alan Main / Kim Palmo / Pengyu Ren / Jie-Lou Liao / Robert J. Hinde / Paul Marshall / Robert D. Klein / Jun Hu / Yubiao Liu / Robert M. Glaeser / Charles M. Lieber / Vickie Tsui / David Chandler / Mark Murcko / Thomas E. Cheatham III / Charles R. Cantor / Ken Lind / Mark D. Adams / / /
Position
General / chemist / model for the solute / uninitiated chemist / /
ProvinceOrState
Maine / Indiana / California / Texas / Pennsylvania / Massachusetts / New York / Maryland / North Carolina / New Jersey / Oregon / Washington / /
PublishedMedium
Molecular Biology / /
Technology
pharmacogenomic / PROTEOMICS / x-ray / 3-D / fabrication protocol / genotyping / Drug Discovery / Structural genomics / DNA Chip / crystallization / SPECTROSCOPY / mouse knockout technologies / Molecular Modeling / polymerization / Using mouse knockout technology / molecule building algorithm / simulation / parallel processing / conformational searching algorithms / High-Throughput Screening / human genome / Chemoinformatics / FLASH / combinatorial chemistry / Genomics / semiconductor technology / Hybridization / Computational Chemistry / experimental and computational technologies / rational drug design / DRUG DESIGN / drug development / /
American Chemical Society Division of Computers in Chemistry ABSTRACTS 224th ACS National Meeting Boston, MA