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ORCIDWilliam A. Goddard III
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2010 – 2019
- 2016
[j20]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)- [j19]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) - [j18]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
- [j17]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
- [j16]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
- [j15]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
- [j14]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) - [j13]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) - [j12]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)
2000 – 2009
- 2008
- [j11]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) - [j10]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) - [c2]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
- [j9]Amos G. Anderson, William A. Goddard III, Peter Schröder:
Quantum Monte Carlo on graphical processing units. Comput. Phys. Commun. 177(3): 298-306 (2007) - [j8]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
- [j7]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) - 2004
- [j6]Michael P. Belmares, Mario Blanco, William A. Goddard III, Richard B. Ross, Gregg A. Caldwell, Shih-Hung Chou, J. Pham, Peter M. Olofson, Cristina Thomas:
Hildebrand and Hansen solubility parameters from Molecular Dynamics with applications to electronic nose polymer sensors. J. Comput. Chem. 25(15): 1814-1826 (2004) - 2003
- [j5]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
- [j4]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)
1990 – 1999
- 1997
- [j3]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) - [j2]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) - [c1]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
1980 – 1989
- 1989
- [j1]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)
Coauthor Index
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