Applications > mvapich-old


Users of this package associated the following 4 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.

  • Jing Huang (University of Maryland, Baltimore), Alexander D. MacKerell, (2013) "CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data", Journal of Computational Chemistry 34 / 25, 2135-2145.
  • Justin A Lemkul, Alexey Savelyev, Alexander D MacKerell, (June2014) "Induced Polarization Influences the Fundamental Forces in DNA Base Flipping", The Journal of Physical Chemistry Letters 5 / 12, 2077-2083.
  • Mauro Lapelosa (Drexel University), Cameron Abrams (Drexel University), (February2013) "A Computational Study of Water and CO Migration Sites and Channels Inside Myoglobin", Journal of Chemical Theory and Computation , 1265-1271.
  • Luca Larini (University of California-Santa Barbara), Lanyuan Lu (University of Utah), Gregory Voth (University of Chicago), (April2010) "The multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentials", The Journal of Chemical Physics 132 / 16, 164107.