Pith Number

pith:S36F2K7X

pith:2026:S36F2K7XCYEIZI64EW5PT2MR5R

not attested not anchored not stored refs resolved

Orientation-Dependent Protein Binding at Nanoparticle Interfaces

Ian Rouse, Nicolae-Viorel Buchete, Vigneshwari Karunakaran Annapoorani, Vladimir Lobaskin

Docking and united-atom models match protein orientations at nanoparticle surfaces

arxiv:2604.26086 v2 · 2026-04-28 · physics.bio-ph · physics.comp-ph

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\pithnumber{S36F2K7XCYEIZI64EW5PT2MR5R}

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Record completeness

1 Bitcoin timestamp

2 Internet Archive

3 Author claim open · sign in to claim

4 Citations open

5 Replications open

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The bundle contains the canonical record plus signed events. A mirror can host it anywhere and recompute the same current state with the deterministic merge algorithm.

Claims

C1strongest claim

We find encouraging agreement between the two approaches in several cases, while also identifying limitations and routes for improvement, including optimized angular resolution and iterative refinement of interaction parameters.

C2weakest assumption

That the minimum UA adsorption energy or docking score in each angular bin accurately reports binding propensity and that Jensen-Shannon divergence between the resulting orientational distributions reliably indicates that docking score landscapes relate to Boltzmann-averaged UA adsorption energetics.

C3one line summary

A computational framework creates orientation heatmaps of protein adsorption on SiO2 nanoparticles by combining united-atom models and docking, then compares results for eight allergen proteins using Jensen-Shannon divergence to assess agreement between the methods.

References

50 extracted · 50 resolved · 0 Pith anchors

[1] I. Lynch and K. Dawson, “Protein- nanoparticle interactions,”Nano Today, vol. 3, pp. 40–47, 2008 2008

[2] Kinet- ics of the formation of a protein corona around nanoparticles, 2016

[3] Un- derstanding protein-nanoparticle inter- actions leading to protein corona for- mation: In vitro - in vivo correlation study, 2024

[4] A computational view on nanomaterial intrinsic and ex- trinsic features for nanosafety and sus- tainability, 2023

[5] Un- derstanding the nanoparticle–protein corona using methods to quantify ex- change rates and affinities of proteins for nanoparticles, 2050

Formal links

1 machine-checked theorem link

Receipt and verification

First computed	2026-05-20T00:00:39.552642Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

96fc5d2bf716088ca3dc25baf9e991ec514adbd0f566fa160c9d9565d31ebd8a

Aliases

arxiv: 2604.26086 · arxiv_version: 2604.26086v2 · doi: 10.48550/arxiv.2604.26086 · pith_short_12: S36F2K7XCYEI · pith_short_16: S36F2K7XCYEIZI64 · pith_short_8: S36F2K7X

Agent API

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Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/S36F2K7XCYEIZI64EW5PT2MR5R \
  | jq -c '.canonical_record' \
  | python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: 96fc5d2bf716088ca3dc25baf9e991ec514adbd0f566fa160c9d9565d31ebd8a

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "de32e44f87757567176472854e9fbc3ffd6c1ca745fca1d3f50974b843b6b94e",
    "cross_cats_sorted": [
      "physics.comp-ph"
    ],
    "license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
    "primary_cat": "physics.bio-ph",
    "submitted_at": "2026-04-28T19:52:51Z",
    "title_canon_sha256": "21e87aec3f350f1b366b9c5db5f41790278056c7d703c02fc6d95eebd644b5a8"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2604.26086",
    "kind": "arxiv",
    "version": 2
  }
}