2008 |
10 | EE | 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 |
9 | EE | 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.
Journal of Computational Chemistry 29(1): 8-16 (2008) |
8 | EE | 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.
Journal of Computational Chemistry 29(14): 2335-2343 (2008) |
2007 |
7 | EE | Amos G. Anderson,
William A. Goddard III,
Peter Schröder:
Quantum Monte Carlo on graphical processing units.
Computer Physics Communications 177(3): 298-306 (2007) |
6 | EE | 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.
Journal of Computational Chemistry 28(14): 2309-2316 (2007) |
2005 |
5 | EE | Art E. Cho,
John A. Wendel,
Nagarajan Vaidehi,
Peter M. Kekenes-Huskey,
Welly B. Floriano,
Prabal K. Maiti,
William A. Goddard III:
The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals.
Journal of Computational Chemistry 26(1): 48-71 (2005) |
2002 |
4 | EE | Jan Sefcik,
Ersan Demiralp,
Tahir Çagin,
William A. Goddard III:
Dynamic Charge Equilibration-Morse stretch force field: Application to energetics of pure silica zeolites.
Journal of Computational Chemistry 23(16): 1507-1514 (2002) |
1997 |
3 | | Amir Fijany,
Tahir Çagin,
A. Jaramillo-Botero,
William A. Goddard III:
A Fast Algorithm for Massively Parallel, Long-Term, Simulation of Complex Molecular Dynamics Systems.
PARCO 1997: 505-515 |
2 | EE | Zhuo-Min Chen,
Tahir Çagin,
William A. Goddard III:
Fast Ewald sums for general van der Waals potentials.
Journal of Computational Chemistry 18(11): 1365-1370 (1997) |
1 | EE | 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.
Journal of Computational Chemistry 18(4): 501-521 (1997) |