https://w3id.org/np/RAavNHxlvMckEhiH4o0LQ8ZkQf97X3O7RSbtGmKGLDkGw
.trig | .trig.txt | .jelly | .jelly.txt | .jsonld | .jsonld.txt | .nq | .nq.txt | .xml | .xml.txt
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np:hasAssertion sub:assertion;
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sub:assertion {
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<https://w3id.org/delphi/resource/assessment/buehler-2010-nanoconfinement-01--gemini>
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dc:description "The claim is explicitly scoped to large-scale molecular dynamics simulations of silk poly-Ala and poly-(Gly-Ala) beta-sheet nanocrystals and states a clear monotonic sign for stiffness, strength, and toughness above a few nanometres. Because poly-Ala antiparallel beta-sheet geometry is standard and open MD engines with CHARMM force fields are publicly available, an independent team can reconstruct the size-series simulations within a few weeks. It is scored as partially resolvable rather than fully resolvable right now because the full text and original simulation inputs are not openly vendored, requiring reconstruction of the exact loading and boundary protocol.";
dc:subject <https://w3id.org/delphi/resource/concept/dataset-resolvability-0.2.0>;
<http://www.w3.org/2000/01/rdf-schema#comment> "Proposed test with existing data: Build antiparallel poly-Ala and poly-(Gly-Ala) beta-sheet nanocrystal models of varying crystal thickness h (from 1 nm to 15 nm) using known silk beta-sheet unit-cell geometries, run steered MD shear and tensile tests in NAMD or GROMACS with the CHARMM force field, and compute elastic modulus E(h), peak failure stress sigma_f(h), and work to failure U_tough(h). The claim is confirmed if all three mechanical metrics peak or plateau at a few nanometres and decline systematically as crystal size increases above that critical scale.";
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dc:description "Experimental crystal and NMR structures of poly-alanine and silk-like antiparallel beta-sheet peptides used to construct nanocrystal stacks";
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dc:description "Open-source molecular dynamics package for running size-dependent mechanical pulling simulations of beta-sheet nanocrystals";
<http://www.w3.org/2000/01/rdf-schema#label> "Candidate dataset: GROMACS Molecular Dynamics Package";
prov:wasDerivedFrom <https://www.gromacs.org/> .
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