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SMILES alignment: a dynamic programming approach for the alignment of metabolites and other small organic molecules.

• Authors : Tang AL; Center for Computational Genetics and Genomics and Department of Biology, Temple University, 1900 N. 12Th Street, Philadelphia, PA, 19122, USA.; Liberles DA

Subjects: Organic Chemicals*/Organic Chemicals*/Organic Chemicals*/chemistry ; Organic Chemicals*/Organic Chemicals*/Organic Chemicals*/metabolism ; Computational Biology*/Computational Biology*/Computational Biology*/methods

• Source: BMC bioinformatics [BMC Bioinformatics] 2025 Oct 17; Vol. 26 (1), pp. 251. Date of Electronic Publication: 2025 Oct 17.Publisher: BioMed Central Country of Publication: England NLM ID: 100965194 Publication Model: Electronic Cited Medium: Internet ISSN: 1471-2105

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Hypo-electronegativity Atoms Induce Bader Charge Enrichment on the Pt Surface to Promote Ampere-Level Electrocatalytic Ammonia Oxidation

• Authors : Weidong Tang; Xiaohui Xu; Yu Cheng

Subjects: Biophysics; Neuroscience; Biotechnology

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Electronegativity-Based QSPR Analysis for Understanding Structure–Property Relationships of Glass Materials

• Authors : Jingping Yan; Yajiao Zhang; Feimei Wang

Subjects: Biophysics; Medicine; Molecular Biology

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Electron Shells of Periodic Table Elements Visualized by Localized Orbital Locator: Analyzing the Atom’s Structure and Properties

• Authors : Andrei V. Afonin; Valentin A. Semenov; Alexander V. Vashchenko

Subjects: Medicine; Cell Biology; Biotechnology

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A Comprehensive Investigation into the Mechanism Governing the ESDPT Behavior of Bis-3,6-(2-benzoxazolyl)pyrocatechol Regulated by Solvent Effects and Chalcogen Substitutions

• Authors : Chang Liu; Zibo Shen; Jinfeng Zhao

Subjects: Biophysics; Medicine; Molecular Biology

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pH-Dependent Behavior of Quartz Surfaces: Insights from XPS, DRIFT, and Potentiometric Titrations

• Authors : Oscar A. Gamba; Michael Badawi; Halima Said

Subjects: Biophysics; Biochemistry; Ecology

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Watery Hydrogen-Bonding Ag–Organic Coordination Polymers with Proton–Electron Dual Conductivity for CO 2 Electroreduction

• Authors : Tingting Zhan; Sining Zheng; Minhong Yan

Subjects: Biophysics; Biochemistry; Medicine

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Identification of B cell epitopes of alcohol dehydrogenase allergen of Curvularia lunata.

• Authors : Nair S; Allergy and Immunology Laboratory, Institute of Genomics and Integrative Biology (CSIR), Delhi, India.; Kukreja N

Subjects: Computational Biology*; Alcohol Dehydrogenase/Alcohol Dehydrogenase/Alcohol Dehydrogenase/*immunology ; Allergens/Allergens/Allergens/*immunology

• Source: PloS one [PLoS One] 2011; Vol. 6 (5), pp. e20020. Date of Electronic Publication: 2011 May 25.Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: Print-Electronic Cited Medium: Internet

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Fast and Accurate Machine Learning Strategy for Calculating Partial Atomic Charges in Metal–Organic Frameworks

• Authors : Srinivasu Kancharlapalli (7821245); Arun Gopalan (4725612); Maciej Haranczyk (1505041)

Subjects: Biophysics; Medicine; Computational Biology

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Sabatier Principle Revisited: The Role of Electronic Properties in Simple Catalytic Reactions

• Authors : Ramón Alain Miranda-Quintana; Niklas Adebar; Moritz Schulze

Subjects: Biochemistry; Biotechnology; Marine Biology

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