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  • 1-10 ل  2,349 نتائج ل ""Catalytic Domain""
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Academic Journal

Substrate Activation Efficiency in Active Sites of Hydrolases Determined by QM/MM Molecular Dynamics and Neural Networks.

Subjects: Neural Networks, Computer* ; Molecular Dynamics Simulation* ; Hydrolases*/Hydrolases*/Hydrolases*/chemistry

  • Source: International journal of molecular sciences [Int J Mol Sci] 2025 May 26; Vol. 26 (11). Date of Electronic Publication: 2025 May 26.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Molecular dynamics, docking and quantum calculations reveal conformational changes influenced by CYP271A amino acid mutations related to cerebrotendinous xanthomatosis.

  • Authors : Sixto-López Y; Departamento de Química Farmacéutica y Orgánica, Facultad de Farmacia, Universidad de Granada, Campus de Cartuja s/n, 18071, Granada, Spain. .; Laboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotecnológica (Laboratory for the Design and Development of New Drugs and Biotechnological Innovation), Escuela Superior de Medicina, Plan de San Luis y Díaz Mirón, Instituto Politécnico Nacional, Ciudad de México, 11340, México. .

Subjects: Xanthomatosis, Cerebrotendinous*/Xanthomatosis, Cerebrotendinous*/Xanthomatosis, Cerebrotendinous*/genetics ; Cholestanetriol 26-Monooxygenase*/Cholestanetriol 26-Monooxygenase*/Cholestanetriol 26-Monooxygenase*/genetics ; Cholestanetriol 26-Monooxygenase*/Cholestanetriol 26-Monooxygenase*/Cholestanetriol 26-Monooxygenase*/chemistry

  • Source: Scientific reports [Sci Rep] 2025 Mar 25; Vol. 15 (1), pp. 10229. Date of Electronic Publication: 2025 Mar 25.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Geometry-encoded molecular dynamics enables deep learning insights into P450 regiospecificity control.

  • Authors : Pompon D; Toulouse Biotechnology Institute, Université de Toulouse, CNRS, INRAE, INSA, 135 Avenue de Rangueil, Toulouse, France. .; Garcia-Alles LF

Subjects: Molecular Dynamics Simulation* ; Caffeine*/Caffeine*/Caffeine*/metabolism ; Caffeine*/Caffeine*/Caffeine*/chemistry

  • Source: Scientific reports [Sci Rep] 2025 Mar 03; Vol. 15 (1), pp. 7512. Date of Electronic Publication: 2025 Mar 03.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Synthesis, biological evaluations, and in silico assessments of phenylamino quinazolinones as tyrosinase inhibitors.

Subjects: Monophenol Monooxygenase*/Monophenol Monooxygenase*/Monophenol Monooxygenase*/antagonists & inhibitors ; Monophenol Monooxygenase*/Monophenol Monooxygenase*/Monophenol Monooxygenase*/chemistry ; Monophenol Monooxygenase*/Monophenol Monooxygenase*/Monophenol Monooxygenase*/metabolism

  • Source: Scientific reports [Sci Rep] 2025 Jan 04; Vol. 15 (1), pp. 846. Date of Electronic Publication: 2025 Jan 04.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Allostery and Evolution: A Molecular Journey Through the Structural and Dynamical Landscape of an Enzyme Super Family

Subjects: MESH: L-Lactate Dehydrogenase; MESH: Malate Dehydrogenase; MESH: Mutation

  • Source: Mol Biol EvolMolecular Biology and EvolutionMolecular Biology and Evolution, 2025, 42 (1), ⟨10.1093/molbev/msae265⟩

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Academic Journal

Structure of human MUTYH and functional profiling of cancer-associated variants reveal an allosteric network between its [4Fe-4S] cluster cofactor and active site required for DNA repair

Subjects: Biochemistry and Cell Biology; Biological Sciences; Cancer

  • Source: Nature Communications. 16(1)

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Academic Journal

Determinants of chemoselectivity in ubiquitination by the J2 family of ubiquitin-conjugating enzymes.

  • Authors : Swarnkar A; Research Group Membrane Protein Biochemistry, Max Planck Institute for Multidisciplinary Sciences, Am Fassberg 11, 37077, Göttingen, Germany.; Leidner F

Subjects: Ubiquitin-Conjugating Enzymes*/Ubiquitin-Conjugating Enzymes*/Ubiquitin-Conjugating Enzymes*/metabolism ; Ubiquitin-Conjugating Enzymes*/Ubiquitin-Conjugating Enzymes*/Ubiquitin-Conjugating Enzymes*/chemistry ; Ubiquitin-Conjugating Enzymes*/Ubiquitin-Conjugating Enzymes*/Ubiquitin-Conjugating Enzymes*/genetics

  • Source: The EMBO journal [EMBO J] 2024 Dec; Vol. 43 (24), pp. 6705-6739. Date of Electronic Publication: 2024 Nov 12.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 8208664 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Optimized periphery-core interface increases fitness of the Bacillus subtilis glmS ribozyme.

  • Authors : Yu LD; Program in Cell, Molecular and Developmental Biology and Biophysics, Johns Hopkins University, Baltimore, MD 21218, USA.; White EN

Subjects: Bacillus subtilis*/Bacillus subtilis*/Bacillus subtilis*/genetics ; Bacillus subtilis*/Bacillus subtilis*/Bacillus subtilis*/enzymology ; RNA, Catalytic*/RNA, Catalytic*/RNA, Catalytic*/chemistry

  • Source: Nucleic acids research [Nucleic Acids Res] 2024 Nov 27; Vol. 52 (21), pp. 13340-13350.Publisher: Oxford University Press Country of Publication: England NLM ID: 0411011 Publication Model: Print Cited Medium: Internet ISSN:

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Academic Journal

USP8 Mutations Associated with Cushing's Disease Alter Protein Structure Dynamics.

  • Authors : Petukhova N; Bioinformatics Research Center, Pavlov First Saint Petersburg Medical State University, 197022 Saint Petersburg, Russia.; Poluzerova A

Subjects: Ubiquitin Thiolesterase*/Ubiquitin Thiolesterase*/Ubiquitin Thiolesterase*/genetics ; Ubiquitin Thiolesterase*/Ubiquitin Thiolesterase*/Ubiquitin Thiolesterase*/chemistry ; Ubiquitin Thiolesterase*/Ubiquitin Thiolesterase*/Ubiquitin Thiolesterase*/metabolism

  • Source: International journal of molecular sciences [Int J Mol Sci] 2024 Nov 26; Vol. 25 (23). Date of Electronic Publication: 2024 Nov 26.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Conformational Flexibility of the C-Terminal Region Influences Distal Active Site Residues Across the Tautomerase Superfamily.

  • Authors : Argueta C; Department of Chemistry, University of the Pacific, Stockton, CA 95211, USA.; Parkins A

Subjects: Isomerases*/Isomerases*/Isomerases*/chemistry ; Isomerases*/Isomerases*/Isomerases*/metabolism ; Catalytic Domain*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2024 Nov 24; Vol. 25 (23). Date of Electronic Publication: 2024 Nov 24.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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  • 1-10 ل  2,349 نتائج ل ""Catalytic Domain""