• case-insensitive prefix search: default
  e.g., sig matches "SIGIR" as well as "signal"
• exact word search: append dollar sign ($) to word
  e.g., graph$ matches "graph", but not "graphics"
• boolean and: separate words by space
  e.g., codd model
• boolean or: connect words by pipe symbol (|)
  e.g., graph|network

Update May 7, 2017: Please note that we had to disable the phrase search operator (.) and the boolean not operator (-) due to technical problems. For the time being, phrase search queries will yield regular prefix search result, and search terms preceded by a minus will be interpreted as regular (positive) search terms.

found 21 matches

• 2016
• 
  Jose L. Mendoza-Cortes, Qi An, William A. Goddard III, Caichao Ye, Sergey Zybin:
  Prediction of the crystal packing of di-tetrazine-tetroxide (DTTO) energetic material. J. Comput. Chem. 37(2): 163-167 (2016)
• 
  Caitlin E. Scott, Kwang H. Ahn, Steven T. Graf, William A. Goddard III, Debra A. Kendall, Ravinder Abrol:
  Computational Prediction and Biochemical Analyses of New Inverse Agonists for the CB1 Receptor. J. Chem. Inf. Model. 56(1): 201-212 (2016)
• 
  Vaclav Cvicek, William A. Goddard III, Ravinder Abrol:
  Structure-Based Sequence Alignment of the Transmembrane Domains of All Human GPCRs: Phylogenetic, Structural and Functional Implications. PLoS Comput. Biol. 12(3) (2016)
• 2015
• 
  Quanjie Li, Soo-Kyung Kim, William A. Goddard III, Guangju Chen, Hongwei Tan:
  Predicted Structures for Kappa Opioid G-Protein Coupled Receptor Bound to Selective Agonists. J. Chem. Inf. Model. 55(3): 614-627 (2015)
• 2014
• 
  Soo-Kyung Kim, William A. Goddard III:
  Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1. J. Comput. Aided Mol. Des. 28(12): 1175-1190 (2014)
• 2012
• 
  Jun Tan, Ravinder Abrol, Bartosz Trzaskowski, William A. Goddard III:
  3D Structure Prediction of TAS2R38 Bitter Receptors Bound to Agonists Phenylthiocarbamide (PTC) and 6-n-Propylthiouracil (PROP). J. Chem. Inf. Model. 52(7): 1875-1885 (2012)
• 2011
• 
  Andrés Jaramillo-Botero, Julius Su, Qi An, William A. Goddard III:
  Large-scale, long-term nonadiabatic electron molecular dynamics for describing material properties and phenomena in extreme environments. J. Comput. Chem. 32(3): 497-512 (2011)
• 
  Soo-Kyung Kim, Peter Fristrup, Ravinder Abrol, William A. Goddard III:
  Structure-Based Prediction of Subtype Selectivity of Histamine H₃ Receptor Selective Antagonists in Clinical Trials. J. Chem. Inf. Model. 51(12): 3262-3274 (2011)
• 
  Soo-Kyung Kim, Youyong Li, Ravinder Abrol, Jiyoung Heo, William A. Goddard III:
  Predicted Structures and Dynamics for Agonists and Antagonists Bound to Serotonin 5-HT2B and 5-HT2C Receptors. J. Chem. Inf. Model. 51(2): 420-433 (2011)
• 2008
• 
  Michael T. Feldmann, Julian C. Cummings, David R. Kent IV, Richard P. Muller, William A. Goddard III:
  Manager-worker-based model for the parallelization of quantum Monte Carlo on heterogeneous and homogeneous networks. J. Comput. Chem. 29(1): 8-16 (2008)
• 
  Daniel R. Fisher, David R. Kent IV, Michael T. Feldmann, William A. Goddard III:
  An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculations. J. Comput. Chem. 29(14): 2335-2343 (2008)
• 
  Youyong Li, William A. Goddard III:
  Prediction of the Structure of G-Protein Coupled Receptors and of Bound Ligands with Applications for Drug Design. Pacific Symposium on Biocomputing 2008: 344-353
• 2007
• 
  Amos G. Anderson, William A. Goddard III, Peter Schröder:
  Quantum Monte Carlo on graphical processing units. Comput. Phys. Commun. 177(3): 298-306 (2007)
• 
  David R. Kent IV, Richard P. Muller, Amos G. Anderson, William A. Goddard III, Michael T. Feldmann:
  Efficient algorithm for "on-the-fly" error analysis of local or distributed serially correlated data. J. Comput. Chem. 28(14): 2309-2316 (2007)
• 2005
• 
  Art E. Cho, John A. Wendel, Nagarajan Vaidehi, Peter M. Kekenes-Huskey, Wely B. Floriano, Prabal K. Maiti, William A. Goddard III:
  The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals. J. Comput. Chem. 26(1): 48-71 (2005)
• 2003
• 
  Wilfried N. Gansterer, Robert C. Ward, Richard P. Muller, William A. Goddard III:
  Computing Approximate Eigenpairs of Symmetric Block Tridiagonal Matrices. SIAM J. Sci. Comput. 25(1): 65-85 (2003)
• 2002
• 
  Jan Sefcik, Ersan Demiralp, Tahir Çagin, William A. Goddard III:
  Dynamic Charge Equilibration-Morse stretch force field: Application to energetics of pure silica zeolites. J. Comput. Chem. 23(16): 1507-1514 (2002)
• 1997
• 
  Zhuo-Min Chen, Tahir Çagin, William A. Goddard III:
  Fast Ewald sums for general van der Waals potentials. J. Comput. Chem. 18(11): 1365-1370 (1997)
• 
  Kian-Tat Lim, Sharon Brunett, Mihail Iotov, Richard B. McClurg, Nagarajan Vaidehi, Siddharth Dasgupta, Stephen Taylor, William A. Goddard III:
  Molecular dynamics for very large systems on massively parallel computers: The MPSim program. J. Comput. Chem. 18(4): 501-521 (1997)
• 
  Amir Fijany, Tahir Çagin, Andrés Jaramillo-Botero, William A. Goddard III:
  A Fast Algorithm for Massively Parallel, Long-Term, Simulation of Complex Molecular Dynamics Systems. PARCO 1997: 505-515
• 1989
• 
  William D. Wilson, Robert J. Asaro, Robert W. Dutton, Juan M. Sanchez, David J. Srolovitz, Richard H. Boyd, William A. Goddard III, John R. Smith, Wilhelm G. Wolfer:
  The impact of supercomputing capabilities on U.S. materials science and technology. Future Gener. Comput. Syst. 5(2-3): 283-293 (1989)