{
  "abstract": "We examine the known polymorphs of cytidine 5$^\\prime$-monophosphate (CMP) using dispersion-corrected density functional theory. The monoclinic phase is predicted to be the most stable, lying 1.76 and 3.00 kcal/mol per molecular unit below the orthorhombic and triclinic forms, respectively. Monoclinic CMP contains a ribose-based H-bonding motif along the crystallographic $\\vec{b}$ direction, comprising alternating intra- and intermolecular interactions, motivating an investigation of cooperative stabilization along this pathway. We employ chain-of-molecules (COM) and chain-of-slabs (COS) models to quantify the direction- and size-dependent stabilization and extend the analysis to the corresponding 5$^\\prime$-monophosphates of thymidine, uridine, adenosine, and guanosine. Successive dimer-addition energies reveal the strongest size-dependent cooperative stabilization along the $\\vec{b}$ direction, whereas growth along $\\vec{a}$ and $\\vec{c}$ exhibits substantially weaker size dependence. Among the nucleotides examined, adenosine 5$^\\prime$-monophosphate shows the strongest chain-growth stabilization in the COM model, whereas the uridine variant shows the strongest stabilization in the COS model. Guanosine 5$^\\prime$-monophosphate exhibits the weakest response in both models. Minimal-basis iterative stockholder (MBIS) analysis further supports molecular polarization along the growing assemblies. These results demonstrate how nucleobase identity and the surrounding crystal environment modulate direction-dependent cooperative stabilization associated with extended hydrogen-bond networks.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.26068",
  "author_total": 2,
  "authors": [
    {
      "name": "Parimala Devi Duraisamy"
    },
    {
      "name": "Raghunathan Ramakrishnan"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/4r3kvt8c1nmmh.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.26068",
  "fulltext_url": null,
  "id": "4r3kvt8c1nmmh",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.26068",
  "language": null,
  "licence": "LicenseRef-arXiv-nonexclusive-1.0",
  "licence_label": "arXiv licence",
  "licence_source": "article",
  "licence_url": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "physics.bio-ph"
    ],
    [
      "arxiv",
      "physics.chem-ph"
    ],
    [
      "openalex",
      "1606|Crystallography and molecular interactions"
    ]
  ],
  "openalex": "W7222998711",
  "pdf_url": "https://arxiv.org/pdf/2610.26068",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-19",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/4r3kvt8c1nmmh.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:30:52Z",
      "native_id": "2610.26068",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.26068"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    },
    {
      "field": "physics",
      "origin": "arxiv:physics.bio-ph",
      "subfield": "biological-medical"
    }
  ],
  "title": "Intermolecular Packing and Cooperative Stabilization in Nucleotide Monophosphate Crystals",
  "title_text": "Intermolecular Packing and Cooperative Stabilization in Nucleotide Monophosphate Crystals",
  "type": "preprint",
  "updated_at": "2026-10-30T12:33:41Z",
  "url": "https://research.draconitic.com/paper/4r3kvt8c1nmmh",
  "venue": "arXiv",
  "versions": []
}