William A. Goddard III

28 papers Misc 1Journal 25Unranked 2

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Atomistic Mechanism Underlying the Regulation of the GPA1 G Protein Signaling Pathway Mediated by the Gibberellin A1 Phytohormone Binding to the GCR1 Plant G-Protein-Coupled Receptor. J. Chem. Inf. Model. Pedro M. Hernández, Carlos A. Arango, Soo-Kyung Kim, Andrés Jaramillo-Botero, William A. Goddard III
2025	J	`jnl`	OrbitAll: A Unified Quantum Mechanical Representation Deep Learning Framework for All Molecular Systems. CoRR Beomseok Kang, Vignesh C. Bhethanabotla, Amin Tavakoli, Maurice D. Hanisch, William A. Goddard III, Anima Anandkumar
2019	J	`jnl`	Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis. Comput. Sci. Eng. Ying Li, Ken-ichi Nomura, Joseph A. Insley, Vitali A. Morozov, Kalyan Kumaran, Nichols A. Romero, William A. Goddard III, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
2016	J	`jnl`	Computational Prediction and Biochemical Analyses of New Inverse Agonists for the CB1 Receptor. J. Chem. Inf. Model. Caitlin E. Scott, Kwang H. Ahn, Steven T. Graf, William A. Goddard III, Debra A. Kendall, Ravinder Abrol
2016	J	`jnl`	Prediction of the crystal packing of di-tetrazine-tetroxide (DTTO) energetic material. J. Comput. Chem. Jose L. Mendoza-Cortes, Qi An, William A. Goddard III, Caichao Ye, Sergey Zybin
2016	J	`jnl`	Structure-Based Sequence Alignment of the Transmembrane Domains of All Human GPCRs: Phylogenetic, Structural and Functional Implications. PLoS Comput. Biol. Vaclav Cvicek, William A. Goddard III, Ravinder Abrol
2015	J	`jnl`	Predicted Structures for Kappa Opioid G-Protein Coupled Receptor Bound to Selective Agonists. J. Chem. Inf. Model. Quanjie Li, Soo-Kyung Kim, William A. Goddard III, Guangju Chen, Hongwei Tan
2014	J	`jnl`	Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1. J. Comput. Aided Mol. Des. Soo-Kyung Kim, William A. Goddard III
2012	J	`jnl`	3D Structure Prediction of TAS2R38 Bitter Receptors Bound to Agonists Phenylthiocarbamide (PTC) and 6-n-Propylthiouracil (PROP). J. Chem. Inf. Model. Jun Tan, Ravinder Abrol, Bartosz Trzaskowski, William A. Goddard III
2011	J	`jnl`	Large-scale, long-term nonadiabatic electron molecular dynamics for describing material properties and phenomena in extreme environments. J. Comput. Chem. Andrés Jaramillo-Botero, Julius Su, Qi An, William A. Goddard III
2011	J	`jnl`	Predicted Structures and Dynamics for Agonists and Antagonists Bound to Serotonin 5-HT2B and 5-HT2C Receptors. J. Chem. Inf. Model. Soo-Kyung Kim, Youyong Li, Ravinder Abrol, Jiyoung Heo, William A. Goddard III
2011	J	`jnl`	Structure-Based Prediction of Subtype Selectivity of Histamine H J. Chem. Inf. Model. Soo-Kyung Kim, Peter Fristrup, Ravinder Abrol, William A. Goddard III
2008	J	`jnl`	An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculations. J. Comput. Chem. Daniel R. Fisher, David R. Kent IV, Michael T. Feldmann, William A. Goddard III
2008	J	`jnl`	De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers. Int. J. High Perform. Comput. Appl. Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, Ashish Sharma, Priya Vashishta, Fuyuki Shimojo, Adri C. T. van Duin, William A. Goddard III, Rupak Biswas, Deepak Srivastava, Lin H. Yang
2008	J	`jnl`	Manager-worker-based model for the parallelization of quantum Monte Carlo on heterogeneous and homogeneous networks. J. Comput. Chem. Michael T. Feldmann, Julian C. Cummings, David R. Kent IV, Richard P. Muller, William A. Goddard III
2008	Misc	`conf`	Prediction of the Structure of G-Protein Coupled Receptors and of Bound Ligands with Applications for Drug Design. Pacific Symposium on Biocomputing Youyong Li, William A. Goddard III
2007	J	`jnl`	Efficient algorithm for "on-the-fly" error analysis of local or distributed serially correlated data. J. Comput. Chem. David R. Kent IV, Richard P. Muller, Amos G. Anderson, William A. Goddard III, Michael T. Feldmann
2007	J	`jnl`	Quantum Monte Carlo on graphical processing units. Comput. Phys. Commun. Amos G. Anderson, William A. Goddard III, Peter Schröder
2005	J	`jnl`	The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals. J. Comput. Chem. Art E. Cho, John A. Wendel, Nagarajan Vaidehi, Peter M. Kekenes-Huskey, Wely B. Floriano, Prabal K. Maiti, William A. Goddard III
2004	J	`jnl`	Hildebrand and Hansen solubility parameters from Molecular Dynamics with applications to electronic nose polymer sensors. J. Comput. Chem. 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
2003	J	`jnl`	Computing Approximate Eigenpairs of Symmetric Block Tridiagonal Matrices. SIAM J. Sci. Comput. Wilfried N. Gansterer, Robert C. Ward, Richard P. Muller, William A. Goddard III
2002	J	`jnl`	Dynamic Charge Equilibration-Morse stretch force field: Application to energetics of pure silica zeolites. J. Comput. Chem. Jan Sefcik, Ersan Demiralp, Tahir Çagin, William A. Goddard III
2000	J	`jnl`	A virtual test facility for simulating the dynamic response of materials. Comput. Sci. Eng. Michael Aivazis, William A. Goddard III, Daniel I. Meiron, Michael Ortiz, James Pool, Joseph E. Shepherd
1997	—	`conf`	A Fast Algorithm for Massively Parallel, Long-Term, Simulation of Complex Molecular Dynamics Systems. PARCO Amir Fijany, Tahir Çagin, Andrés Jaramillo-Botero, William A. Goddard III
1997	J	`jnl`	Fast Ewald sums for general van der Waals potentials. J. Comput. Chem. Zhuo-Min Chen, Tahir Çagin, William A. Goddard III
1997	J	`jnl`	Molecular dynamics for very large systems on massively parallel computers: The MPSim program. J. Comput. Chem. Kian-Tat Lim, Sharon Brunett, Mihail Iotov, Richard B. McClurg, Nagarajan Vaidehi, Siddharth Dasgupta, Stephen Taylor, William A. Goddard III
1989	J	`jnl`	The impact of supercomputing capabilities on U.S. materials science and technology. Future Gener. Comput. Syst. 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
1989	—	`conf`	Visualization and Atomic-Level Simulation of Materials. PP William A. Goddard III, Robert E. Donnelly, Naoki Karasawa