ArticlePloS one2014
Calculation and visualization of atomistic mechanical stresses in nanomaterials and biomolecules.
Article in PloS one, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
4 citing papers in PubMed.
- Time-Dependent Voronoi Analysis of Amino Acid Side-Chain Packing in Simulations.Journal of computational chemistry · 2026Article
- Size- and Interface-Constrained Tensile Behavior of Ti/Ni Polycrystalline Nanolaminates: Insight from Molecular Dynamics.Nanomaterials (Basel, Switzerland) · 2026Article
- Cell death as a trigger for morphogenesis.PloS one · 2018Article
- Computational Calorimetry: High-Precision Calculation of Host-Guest Binding Thermodynamics.Journal of chemical theory and computation · 2015Article
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Authors and funding
3 authors.
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Abstract
Many biomolecules have machine-like functions, and accordingly are discussed in terms of mechanical properties like force and motion. However, the concept of stress, a mechanical property that is of fundamental importance in the study of macroscopic mechanics, is not commonly applied in the biomolecular context. We anticipate that microscopical stress analyses of biomolecules and nanomaterials will provide useful mechanistic insights and help guide molecular design. To enable such applications, we have developed Calculator of Atomistic Mechanical Stress (CAMS), an open-source software package for computing atomic resolution stresses from molecular dynamics (MD) simulations. The software also enables decomposition of stress into contributions from bonded, nonbonded and Generalized Born potential terms. CAMS reads GROMACS topology and trajectory files, which are easily generated from AMBER files as well; and time-varying stresses may be animated and visualized in the VMD viewer. Here, we review relevant theory and present illustrative applications.
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Registered trials
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