SEAGrid (http:www.seagrid.org)[*] is acknowledged for computational resources and services for the selected results used in this publication.
* (a) S. Pamidighantam, S. Nakandala, E. Abeysinghe, C. Wimalasena, S. R. Yodage, Suresh Marru, M. Pierce, Community Science Exemplars in SEAGrid Science Gateway: Apache Airavata Based Implementation of Advanced Infrastructure, Procedia Computer Science,Volume 80, 2016, Pages 1927-1939, https://doi.org/10.1016/j.procs.2016.05.535.
(b) N. Shen, Y. Fan, S. Pamidighantam, E-Science Infrastructures for Molecular Modeling and Parametrization, Journal of Computational Science 5 (2014), pp. 576-589; DOI information: 10.1016/j.jocs.2014.01.005
(c) R. Dooley, K. Milfeld, C. Guiang, S. Pamidighantam, G. Allen, From Proposal to Production: Lessons Learned Developing the Computational Chemistry Grid Cyberinfrastructure, Journal of Grid Computing, 2006, 4, 195-208.
(d) K. Milfeld, C. Guiang, S. Pamidighantam, J. Giuliani. Cluster Computing through an Application-oriented Computational Chemistry Grid. Proceedings of the 2005 Linux Clusters: The HPC Revolution, Apr. 2005.
(e) This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number OCI-1053575.