@prefix this: . @prefix sub: . @prefix np: . @prefix rdf: . @prefix prov: . @prefix npx: . @prefix dc: . @prefix xsd: . sub:Head { this: a np:Nanopublication; np:hasAssertion sub:assertion; np:hasProvenance sub:provenance; np:hasPublicationInfo sub:pubinfo . } sub:assertion { a prov:SoftwareAgent; "delphisci dataset-resolvability assessor (Gemini 4 Argon)"; prov:actedOnBehalfOf ; . a ; dc:description "The claim is scoped to theory and full-atomistic MD in explicit solvent, making it directly reproducible with open molecular dynamics software and standard protein force fields. By varying the number of H-bonds N in a sheared beta-hairpin or beta-sheet and measuring both peak shear force and concurrent bond-breaking events, one can cleanly discriminate saturation at 3–4 H-bonds from linear scaling with N."; dc:subject ; "Proposed test with existing data: Perform explicit-solvent atomistic MD shear-pulling simulations on beta-sheet strands of varying length N (from 2 to 20 H-bonds) and verify whether the peak rupture force saturates at N = 3–4 and whether trajectories show at most 3–4 H-bonds breaking simultaneously."; "Gemini 4 Argon on buehler-2008-hbond-confinement-01: resolvable-now, resolvability 0.78"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0"; "Rupture cluster size in MD can vary slightly with pulling velocity, force-field choice, and how uniform shear boundary conditions are applied to the terminal residues."; "0.85"^^xsd:double; , ; "0.78"^^xsd:double; "resolvable-now" . a ; dc:isPartOf ; dc:subject ; "Analysis feasibility of buehler-2008-hbond-confinement-01 by Gemini 4 Argon: 0.75"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0/analysis-feasibility"; "0.75"^^xsd:double . a ; dc:isPartOf ; dc:subject ; "Data adequacy of buehler-2008-hbond-confinement-01 by Gemini 4 Argon: 0.7"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0/data-adequacy"; "0.7"^^xsd:double . a ; dc:isPartOf ; dc:subject ; "Data existence of buehler-2008-hbond-confinement-01 by Gemini 4 Argon: 0.75"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0/data-existence"; "0.75"^^xsd:double . a ; dc:isPartOf ; dc:subject ; "Discriminating power of buehler-2008-hbond-confinement-01 by Gemini 4 Argon: 0.85"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0/discriminating-power"; "0.85"^^xsd:double . a ; dc:isPartOf ; dc:subject ; "Operationalizability of buehler-2008-hbond-confinement-01 by Gemini 4 Argon: 0.85"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0/operationalizability"; "0.85"^^xsd:double . , , , , , . a ; dc:description "Beta-sheet templates (such as silk fibroin and amyloid beta-hairpins) for setting up shear-loading MD simulations across strand lengths"; "Candidate dataset: RCSB Protein Data Bank"; prov:wasDerivedFrom . a ; dc:description "Open-source explicit-solvent atomistic MD software to run uniform shear-loading simulations and measure concurrent H-bond rupture"; "Candidate dataset: GROMACS Molecular Dynamics Package"; prov:wasDerivedFrom . a ; dc:identifier "gemini-4-argon-medium"; "Gemini 4 Argon" . } sub:provenance { sub:assertion prov:wasAttributedTo ; prov:wasDerivedFrom , ; prov:wasGeneratedBy sub:assessment . sub:assessment a prov:Activity; prov:qualifiedAssociation sub:assessmentPlan; prov:wasAssociatedWith . sub:assessmentPlan prov:hadPlan . } sub:pubinfo { "buehler-protein-materials" . this: dc:created "2026-11-08T04:48:50.317Z"^^xsd:dateTime; dc:creator ; dc:license ; npx:hasNanopubType ; npx:introduces ; "Gemini 4 Argon on buehler-2008-hbond-confinement-01: resolvable-now, resolvability 0.78"; . sub:sig npx:hasAlgorithm "RSA"; npx:hasPublicKey "MIIBIjANBgkqhkiG9w0BAQEFAAOCAQ8AMIIBCgKCAQEAyFHtPB6p0mCjDozxlOY9CmO3nBm7Te3jFbXyLmM+G1tGe47Da0jYIbhkl9Oo1ZjxmCa3LCwlEqK8gj6hEIcL4ahW30JXh9HycfKVk1bugkzMEV15tJdTzAU3sGMFnbNsn43xY2LFLy45tApkRm5byEiM7oRRrooIdwoQKnP4Wzq/bfAoJ9qvW+MGkelyOTd1jbSt+KfmT7xKmDfWzAHddUlWwMX2QJOLxDaffOteTop6ZRgPiNmPJKA/S62Gac9XtSYT3oDkZ6/nr5cxxNLpOyxTf5FPISiCe11xYO/unYjY+mwnOfA8yhJIyx1l0O9I0vpOpn+E5TvyHJV+oSTrvwIDAQAB"; npx:hasSignature "Nj+CTlVX7/PVJ8RctEZmlUtW7yhVnkHu8NJqW4PwwXm3b6MnYb67bmjzhWzqbCUspPvrn2ah/hho2MCTfJ5o1Xn4zpEyxx/ONd/X0Ta2etMXVmEW5Z62dvPx5/wedU/E0Ve8nBcagSBPLwoDH4A3qqxLhO9I9f9luBNH0mfFIOpL1J1eCXWFRFhwfSWXH1+cnOQ703LyQaKpZ6M4B+VtfQ2vs5YCrAch3NDRNegVidQi24Z48m5rZ+fKou0J35h2KLm2enOD6OSJ/1a2+fobfE9GN3rRi5pK4qA3z+Dj+DxgY1RTIxK6VM+k6GsSD0LiRaSZJWdjJO/M4e62BbrKhg=="; npx:hasSignatureTarget this:; npx:signedBy . }