9 research outputs found
General Network Measures of Healthcare Facility Network at Patient Transfer Thresholds of ≥1 and ≥10.
<p>*Median (Range).</p
Acute Care Facility Ego Networks at the ≥10 Patient Sharing Threshold.
<p>A) Relatively Isolated Facility. B) Sparsely Connected Facility. C) Moderately Connected Facility. D) Extensively Connected Facility.</p
Social Network and Ego Network Measures Utilized.
<p>Social Network and Ego Network Measures Utilized.</p
Ego Network Measures for Acute Care Facilities at the Patient Transfer Threshold of ≥10.
<p>Note: SD is standard deviation.</p><p>*Change in acute care facility ego network measures when LTFCs are added to the network.</p
Sociograms of Orange County Healthcare Facility Network at Two Patient Sharing Thresholds.
<p>A) Long-term Acute Care Facility (LTCF) Network. B) Acute Care Facility Network. C) All Facilities.</p
WESTPA: An Interoperable, Highly Scalable Software Package for Weighted Ensemble Simulation and Analysis
The
weighted ensemble (WE) path sampling approach orchestrates
an ensemble of parallel calculations with intermittent communication
to enhance the sampling of rare events, such as molecular associations
or conformational changes in proteins or peptides. Trajectories are
replicated and pruned in a way that focuses computational effort on
underexplored regions of configuration space while maintaining rigorous
kinetics. To enable the simulation of rare events at any scale (e.g.,
atomistic, cellular), we have developed an open-source, interoperable,
and highly scalable software package for the execution and analysis
of WE simulations: WESTPA (The Weighted Ensemble Simulation Toolkit
with Parallelization and Analysis). WESTPA scales to thousands of
CPU cores and includes a suite of analysis tools that have been implemented
in a massively parallel fashion. The software has been designed to
interface conveniently with any dynamics engine and has already been
used with a variety of molecular dynamics (e.g., GROMACS, NAMD, OpenMM,
AMBER) and cell-modeling packages (e.g., BioNetGen, MCell). WESTPA
has been in production use for over a year, and its utility has been
demonstrated for a broad set of problems, ranging from atomically
detailed host–guest associations to nonspatial chemical kinetics
of cellular signaling networks. The following describes the design
and features of WESTPA, including the facilities it provides for running
WE simulations and storing and analyzing WE simulation data, as well
as examples of input and output
Architecture of the Pittsburgh Genome Resource Repository.
<p>Architecture of the Pittsburgh Genome Resource Repository.</p
TCGA Expedition Modules and associated TCGA Datatypes managed.
<p>TCGA Expedition Modules and associated TCGA Datatypes managed.</p