William A. Goddard III
According to our database1,
William A. Goddard III
authored at least 22 papers
between 1989 and 2016.
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Bibliography
2016
Structure-Based Sequence Alignment of the Transmembrane Domains of All Human GPCRs: Phylogenetic, Structural and Functional Implications.
PLoS Comput. Biol., 2016
Computational Prediction and Biochemical Analyses of New Inverse Agonists for the CB1 Receptor.
J. Chem. Inf. Model., 2016
Prediction of the crystal packing of di-tetrazine-tetroxide (DTTO) energetic material.
J. Comput. Chem., 2016
2015
Predicted Structures for Kappa Opioid G-Protein Coupled Receptor Bound to Selective Agonists.
J. Chem. Inf. Model., 2015
2014
Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1.
J. Comput. Aided Mol. Des., 2014
2012
3D Structure Prediction of TAS2R38 Bitter Receptors Bound to Agonists Phenylthiocarbamide (PTC) and 6-n-Propylthiouracil (PROP).
J. Chem. Inf. Model., 2012
2011
Predicted Structures and Dynamics for Agonists and Antagonists Bound to Serotonin 5-HT2B and 5-HT2C Receptors.
J. Chem. Inf. Model., 2011
Structure-Based Prediction of Subtype Selectivity of Histamine H<sub>3</sub> Receptor Selective Antagonists in Clinical Trials.
J. Chem. Inf. Model., 2011
Large-scale, long-term nonadiabatic electron molecular dynamics for describing material properties and phenomena in extreme environments.
J. Comput. Chem., 2011
2008
An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculations.
J. Comput. Chem., 2008
Manager-worker-based model for the parallelization of quantum Monte Carlo on heterogeneous and homogeneous networks.
J. Comput. Chem., 2008
Prediction of the Structure of G-Protein Coupled Receptors and of Bound Ligands with Applications for Drug Design.
Proceedings of the Biocomputing 2008, 2008
2007
Efficient algorithm for "on-the-fly" error analysis of local or distributed serially correlated data.
J. Comput. Chem., 2007
2005
The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals.
J. Comput. Chem., 2005
2004
Hildebrand and Hansen solubility parameters from Molecular Dynamics with applications to electronic nose polymer sensors.
J. Comput. Chem., 2004
2003
SIAM J. Sci. Comput., 2003
2002
Dynamic Charge Equilibration-Morse stretch force field: Application to energetics of pure silica zeolites.
J. Comput. Chem., 2002
1997
Molecular dynamics for very large systems on massively parallel computers: The MPSim program.
J. Comput. Chem., 1997
A Fast Algorithm for Massively Parallel, Long-Term, Simulation of Complex Molecular Dynamics Systems.
Proceedings of the Parallel Computing: Fundamentals, 1997
1989
Future Gener. Comput. Syst., 1989