@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 "Because the claim explicitly scopes to atomistic simulation of alpha-helical and beta-sheet domains over four orders of magnitude in pulling rate, it can be directly tested today by re-implementing steered MD protocols on standard PDB folds using open MD engines. Even where experimental dynamic force spectroscopy covers lower pulling speeds than atomistic MD, the simulated force-spectrum kink separating two discrete transition states is straightforward to compute and compare against smooth moving-barrier models."; dc:subject ; "Proposed test with existing data: Run steered molecular dynamics simulations of standard alpha-helical (e.g., vimentin coiled-coil) and beta-sheet (e.g., titin I27) PDB structures across four orders of magnitude in pulling velocity, fit unfolding force vs. log(pulling velocity) to piecewise linear (two-slope Bell) versus continuous-curvature (Dudko-Hummer-Szabo) models, and compare via AIC/BIC."; "Gemini 4 Argon on buehler-2007-hierarchies-01: resolvable-now, resolvability 0.74"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0"; "Abstract-only text does not specify the exact PDB accessions, solvent treatment, or spring constants used in the original runs.", "Distinguishing two discrete linear Bell regimes from smooth barrier movement (Dudko-Hummer-Szabo model) over finite velocity ranges can be sensitive to thermal noise and sampling density."; "0.8"^^xsd:double; , ; "0.74"^^xsd:double; "resolvable-now" . a ; dc:isPartOf ; dc:subject ; "Analysis feasibility of buehler-2007-hierarchies-01 by Gemini 4 Argon: 0.7"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0/analysis-feasibility"; "0.7"^^xsd:double . a ; dc:isPartOf ; dc:subject ; "Data adequacy of buehler-2007-hierarchies-01 by Gemini 4 Argon: 0.65"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0/data-adequacy"; "0.65"^^xsd:double . a ; dc:isPartOf ; dc:subject ; "Data existence of buehler-2007-hierarchies-01 by Gemini 4 Argon: 0.7"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0/data-existence"; "0.7"^^xsd:double . a ; dc:isPartOf ; dc:subject ; "Discriminating power of buehler-2007-hierarchies-01 by Gemini 4 Argon: 0.8"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0/discriminating-power"; "0.8"^^xsd:double . a ; dc:isPartOf ; dc:subject ; "Operationalizability of buehler-2007-hierarchies-01 by Gemini 4 Argon: 0.85"; prov:wasAttributedTo ; "dataset-resolvability/0.2.0/operationalizability"; "0.85"^^xsd:double . , , , , , . a ; dc:description "Experimental atomic coordinates of canonical alpha-helical and beta-sheet domains for steered MD unfolding across pulling velocities"; "Candidate dataset: RCSB Protein Data Bank"; prov:wasDerivedFrom . a ; dc:description "Open-source molecular dynamics engine with CHARMM/AMBER force fields and pull code to re-run velocity-dependent unfolding trajectories"; "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-2007-hierarchies-01: resolvable-now, resolvability 0.74"; . sub:sig npx:hasAlgorithm "RSA"; npx:hasPublicKey "MIIBIjANBgkqhkiG9w0BAQEFAAOCAQ8AMIIBCgKCAQEAyFHtPB6p0mCjDozxlOY9CmO3nBm7Te3jFbXyLmM+G1tGe47Da0jYIbhkl9Oo1ZjxmCa3LCwlEqK8gj6hEIcL4ahW30JXh9HycfKVk1bugkzMEV15tJdTzAU3sGMFnbNsn43xY2LFLy45tApkRm5byEiM7oRRrooIdwoQKnP4Wzq/bfAoJ9qvW+MGkelyOTd1jbSt+KfmT7xKmDfWzAHddUlWwMX2QJOLxDaffOteTop6ZRgPiNmPJKA/S62Gac9XtSYT3oDkZ6/nr5cxxNLpOyxTf5FPISiCe11xYO/unYjY+mwnOfA8yhJIyx1l0O9I0vpOpn+E5TvyHJV+oSTrvwIDAQAB"; npx:hasSignature "P9OJ4XVwQex8LwYOgXvsuKsYbVvG5h8jzvWemoqYfWpJZfpxzqqRyxjpJwFIWxsYvdeG+mRzKNfo5YO+PyKiFLXX/V08ZgDn0/fSzDgns2eOeuiK0vohAjmbhxGwI3JpqvrBkredi/k1f9l/A7mvjodtFjCxLphM+gnbaVchqL2bSlknGI+LLeei9EH+/1p0UHEbOvhPRzyy5U5FxtMjppmIRsaIr6QQVGklm4Z02pFHR3Tz9WbJqXA9hKwpzZZFKHgRJZJjkpn4wIEox/cGdPLZJc3ZphNzOZ2x7S0qMwX0vAg3OlT1HbKhccuoj7kRYQGBzUoN4hVCcixpNtaMfA=="; npx:hasSignatureTarget this:; npx:signedBy . }