Applications > gamess

Publications

Users of this package associated the following 7 publications with the XSEDE allocation/account under which they were running this software. Thus the publications may have come before or after the runs of this software, but the authors considered them to be related to the same line of research.

  • James C. Browne, Thomas Furlani (SUNY at Buffalo), Robert T. McLay, Robert L. DeLeon, Charng-Da Lu, Matthew D. Jones, Steve Gallo (SUNY at Buffalo), Amin Ghadersohi, Abani K. Patra, William Barth (University of Texas at Austin), John Hammond, (November2013) "Enabling comprehensive data-driven system management for large computational facilities", Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis on - SC '13 Denver, CO, USA , 1-11. http://dx.doi.org/10.1145/2503210.2503230
  • Evgeni Penev, Joel Ireta, Joan-Emma Shea, (2008) "Energetics of Infinite Homopolypeptide Chains: A New Look at Commonly Used Force Fields", The Journal of Physical Chemistry B 112 / 22, 6872-6877. http://dx.doi.org/10.1021/jp800058f
  • Luca Larini (Rutgers, the State University of New Jersey), Joan-Emma Shea (University of California-Santa Barbara), (2013) "Double Resolution Model for Studying TMAO/Water Effective Interactions", The Journal of Physical Chemistry B 117 / 42, 13268-13277. http://dx.doi.org/10.1021/jp403635g
  • Luca Larini (University of California-Santa Barbara), Megan Murray Gessel, Nichole E. LaPointe, Thanh Do (University of California-Santa Barbara), Michael Bowers (University of California-Santa Barbara), Stuart C. Feinstein, Joan-Emma Shea (University of California-Santa Barbara), (2013) "Initiation of assembly of tau(273-284) and its ΔK280 mutant: an experimental and computational study", Physical Chemistry Chemical Physics 15 / 23, 8916. http://dx.doi.org/10.1039/C3CP00063J
  • Thomas Furlani (SUNY at Buffalo), Matthew D. Jones, Steve Gallo (SUNY at Buffalo), Andrew E. Bruno, Charng-Da Lu, Amin Ghadersohi, Ryan J. Gentner, Abani Patra, Robert L. DeLeon, Gregor von Laszewski, Fugang Wang, Ann Zimmerman, (2012) "Performance metrics and auditing framework using application kernels for high-performance computer systems", Concurrency and Computation: Practice and Experience 25 / 7, 918-931. http://dx.doi.org/10.1002/cpe.2871
  • Luca Larini (University of California-Santa Barbara), Joan-Emma Shea (University of California-Santa Barbara), (July2012) "Coarse-Grained Modeling of Simple Molecules at Different Resolutions in the Absence of Good Sampling", The Journal of Physical Chemistry B 116 / 29, 8337-8349. http://dx.doi.org/10.1021/jp2097263
  • Luca Larini (University of California-Santa Barbara), Joan-Emma Shea (University of California-Santa Barbara), (August2012) "Role of β-Hairpin Formation in Aggregation: The Self-Assembly of the Amyloid-β(25–35) Peptide", Biophysical Journal 103 / 3, 576-586. http://dx.doi.org/10.1016/j.bpj.2012.06.027