William A. Goddard III

Publication Activity (10 Years)

Years Active: 1989-2016
Publications (10 Years): 4

Top Topics

Prediction Accuracy

Structural Information

Sequence Alignment

Packing Problem

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Comput. Aided Mol. Des.

PLoS Comput. Biol.

Publications

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) (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)
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) (2016)
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) (2015)
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) (2014)
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) (2012)
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) (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) (2011)
Soo-Kyung Kim, Peter Fristrup, Ravinder Abrol, William A. Goddard III
Receptor Selective Antagonists in Clinical Trials. J. Chem. Inf. Model. 51 (12) (2011)
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) (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) (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)
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) (2007)
Amos G. Anderson, William A. Goddard III, Peter Schröder
Quantum Monte Carlo on graphical processing units. Comput. Phys. Commun. 177 (3) (2007)
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) (2005)
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) (2003)
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) (2002)
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) (1997)
Zhuo-Min Chen, Tahir Çagin, William A. Goddard III
Fast Ewald sums for general van der Waals potentials. J. Comput. Chem. 18 (11) (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)
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) (1989)