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10 merged results for "Atomistic Simulation"

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  1. Plasma Protein Association with High Drug-Loaded Polymer Micelles: An Atomistic Molecular Dynamics Study.

    Karachevtsev M, Hukka T, Bunker A, Karttunen M · 2026 · Biomacromolecules

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.biomac.6c01198

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  2. Ga3+ Replacing of Fe3+ as a "Trojan Horse" Antimicrobial Strategy: Modeling the Process within Bacterial Catalase-Peroxidase KatG.

    Gramolini L, López-Corbalán R, García-Millán J, Kircheva N · 2026 · Journal of chemical information and modeling

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.jcim.6c02504

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  3. Abundant Reaction Mechanisms for the α‑Nucleophile-Involved Reaction of HOO(-) + CH(3)Br.

    Wang H, Zhao S, Zhu J, Yang S · 2026 · ACS omega

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acsomega.6c08972

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  4. Unveiling π-Radical Induced Regioselective Pathways in On-Surface Synthesis of Kekulene-Hexaone.

    Li X, Wang S, Mutombo P, Xu C · 2026 · Journal of the American Chemical Society

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/jacs.6c12774

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  5. Explainable machine learning reveals topological control of vacancy energetics in 2D carbon.

    Pereira Junior ML, Félix IM, de Melo LP, de Mendonça FLL · 2026 · Physical chemistry chemical physics : PCCP

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1039/d6cp02276f

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  6. Quasichemical short-range order in high-entropy reciprocal melts: Li, Na, K‖F, Cl.

    Zakiryanov DO, Tkachev NK · 2026 · Physical chemistry chemical physics : PCCP

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1039/d6cp03168d

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  7. Diffusion in a d-dimensional rough potential.

    Jeffries J, Mendoza Reyes E, Abdeljawad F, Daw M · 2026 · Proceedings of the National Academy of Sciences of the United States of America

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1073/pnas.2601219123

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  8. Molecular force gates regulate mechanical transmission across the nuclear envelope.

    Domkam N, Yerima G, Tsukamoto S, Mofrad MRK · 2026 · Nucleus (Austin, Tex.)

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1080/19491034.2026.2756751

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  9. Sulfate ions promote Cnm-mediated aggregation in Streptococcus mutans: molecular dynamics insights into the oral-systemic connection.

    Multari S, Nobile MS, Zhu W, Giacometti A · 2026 · Frontiers in microbiology

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.3389/fmicb.2026.1967198

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  10. Decoding the Physical Mechanisms of Protein-Small Molecule Association by Multiscale Kinetic Monte-Carlo Simulations.

    Su Z, Wu Y · 2026 · bioRxiv : the preprint server for biology

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.64898/2026.10.23.761358

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer