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d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations.
J Chem Inf Model
April 2020
Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur 208016, Uttar Pradesh, India.
Structural analyses are an integral part of computational research on nucleation and supercooled water, whose accuracy and efficiency can impact the validity and feasibility of such studies. The underlying molecular mechanisms of these often elusive and computationally expensive processes can be inferred from the evolution of ice-like structures, determined using appropriate structural analysis techniques. We present d-SEAMS, a free and open-source postprocessing engine for the analysis of molecular dynamics trajectories, which is specifically able to qualitatively classify ice structures in both strong-confinement and bulk systems.
View Article and Find Full Text PDFWith high-profile travel bans and well-publicized Immigration and Customs Enforcement (ICE) activities, frontline providers have noticed changes in the behavior of immigrant patients. Some emergency providers report there is more fear and a reluctance to share key information. Also, providers are concerned that worries about deportation will cause immigrant patients to refrain from accessing needed care.
View Article and Find Full Text PDFThe small satellites of Pluto as observed by New Horizons.
Science
March 2016
Southwest Research Institute, Boulder, CO 80302, USA.
The New Horizons mission has provided resolved measurements of Pluto's moons Styx, Nix, Kerberos, and Hydra. All four are small, with equivalent spherical diameters of ~40 kilometers for Nix and Hydra and ~10 kilometers for Styx and Kerberos. They are also highly elongated, with maximum to minimum axis ratios of ~2.
View Article and Find Full Text PDFThe Pluto system: Initial results from its exploration by New Horizons.
Science
October 2015
Southwest Research Institute, San Antonio, TX 28510, USA.
The Pluto system was recently explored by NASA's New Horizons spacecraft, making closest approach on 14 July 2015. Pluto's surface displays diverse landforms, terrain ages, albedos, colors, and composition gradients. Evidence is found for a water-ice crust, geologically young surface units, surface ice convection, wind streaks, volatile transport, and glacial flow.
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