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  • 1-10 ل  4,333 نتائج ل ""Models, Molecular""

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Academic Journal

Plasticity and Co-Factor-Dependent Structural Changes in the RecA Nucleoprotein Filament Studied by Small-Angle X-Ray Scattering (SAXS) Measurements and Molecular Modeling.

  • Authors : Inaba-Inoue S; Faculty of Advanced Life Science, Hokkaido University, Sapporo 060-0810, Japan.; Sabei A

Subjects: Rec A Recombinases*/Rec A Recombinases*/Rec A Recombinases*/chemistry ; Rec A Recombinases*/Rec A Recombinases*/Rec A Recombinases*/metabolism ; Models, Molecular*

  • Source: Molecules (Basel, Switzerland) [Molecules] 2025 Apr 16; Vol. 30 (8). Date of Electronic Publication: 2025 Apr 16.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium:

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Academic Journal

Molecular Modelling in Bioactive Peptide Discovery and Characterisation.

  • Authors : Agoni C; School of Medicine, University College Dublin, D04 C1P1 Dublin, Ireland.; Conway Institute of Biomolecular and Biomedical Science, University College Dublin, D04 C1P Dublin, Ireland.

Subjects: Peptides*/Peptides*/Peptides*/chemistry ; Models, Molecular*; Molecular Dynamics Simulation

  • Source: Biomolecules [Biomolecules] 2025 Apr 03; Vol. 15 (4). Date of Electronic Publication: 2025 Apr 03.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101596414 Publication Model: Electronic Cited Medium:

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Academic Journal

Special Issue "Molecular Simulation and Modeling".

  • Authors : Borówko M; Department of Theoretical Chemistry, Institute of Chemical Sciences, Faculty of Chemistry, Maria Curie-Skłodowska University in Lublin, 20-031 Lublin, Poland.

Subjects: Molecular Dynamics Simulation* ; Models, Molecular*; Humans

  • Source: International journal of molecular sciences [Int J Mol Sci] 2025 Feb 23; Vol. 26 (5). Date of Electronic Publication: 2025 Feb 23.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium:

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Academic Journal

Mutational Analysis of Substrate Recognition in Trypsin-like Protease Cocoonase: Protein Memory Induced by Alterations in Substrate-Binding Site.

  • Authors : Sakata N; Faculty of Science and Engineering, Kindai University, 3-4-1 Kowakae, Higashi-Osaka 577-8502, Japan.; Shimamoto S

Subjects: Models, Molecular*; Substrate Specificity ; Binding Sites

  • Source: Molecules (Basel, Switzerland) [Molecules] 2024 Nov 20; Vol. 29 (22). Date of Electronic Publication: 2024 Nov 20.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium:

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Academic Journal

Supramolecular Structure of Sulfonamide-Substituted Silatranes: Quantum Chemical DFT Calculations.

  • Authors : Chipanina NN; A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, 1 Favorsky Street, 664033 Irkutsk, Russia.; Adamovich SN

Subjects: Sulfonamides*/Sulfonamides*/Sulfonamides*/chemistry ; Density Functional Theory* ; Models, Molecular*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2024 Nov 06; Vol. 25 (22). Date of Electronic Publication: 2024 Nov 06.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium:

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Academic Journal

AI-Driven Deep Learning Techniques in Protein Structure Prediction.

  • Authors : Chen L; College of Computing and Software Engineering, Kennesaw State University, Marietta, GA 30060, USA.; Li Q

Subjects: Deep Learning* ; Proteins*/Proteins*/Proteins*/chemistry ; Protein Conformation*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2024 Aug 01; Vol. 25 (15). Date of Electronic Publication: 2024 Aug 01.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium:

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Academic Journal

Structural Catalytic Core of the Members of the Superfamily of Acid Proteases.

  • Authors : Denesyuk AI; Structural Bioinformatics Laboratory, Biochemistry, InFLAMES Research Flagship Center, Faculty of Science and Engineering, Åbo Akademi University, 20520 Turku, Finland.; Denessiouk K

Subjects: Catalytic Domain* ; Models, Molecular*; Peptide Hydrolases/Peptide Hydrolases/Peptide Hydrolases/chemistry

  • Source: Molecules (Basel, Switzerland) [Molecules] 2024 Jul 23; Vol. 29 (15). Date of Electronic Publication: 2024 Jul 23.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium:

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Academic Journal

The Construction of a Molecular Model for the Ternary Protein Complex of Intrinsic Coagulation Pathway Factors Provides Novel Insights for the Pathogenesis of Cross-Reactive Material Positive Coagulation Factor Mutations.

  • Authors : Jiang S; State Key Laboratory of Microbial Metabolism & Joint International Research Laboratory of Metabolic and Developmental Sciences, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200240, China.; Li F

Subjects: Mutation* ; Factor VIIIa*/Factor VIIIa*/Factor VIIIa*/chemistry ; Factor VIIIa*/Factor VIIIa*/Factor VIIIa*/genetics

  • Source: International journal of molecular sciences [Int J Mol Sci] 2025 May 28; Vol. 26 (11). Date of Electronic Publication: 2025 May 28.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium:

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Academic Journal

Structure-Property Relationships in Zwitterionic Pyridinium-Triazole Ligands: Insights from Crystal Engineering and Hirshfeld Surface Analysis.

  • Authors : Delgado GE; Departamento de Química, Facultad de Ciencias, Universidad de los Andes, Mérida 5101, Venezuela.; Cisterna J

Subjects: Triazoles*/Triazoles*/Triazoles*/chemistry ; Pyridinium Compounds*/Pyridinium Compounds*/Pyridinium Compounds*/chemistry; Ligands

  • Source: International journal of molecular sciences [Int J Mol Sci] 2025 May 27; Vol. 26 (11). Date of Electronic Publication: 2025 May 27.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium:

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Academic Journal

Streamlined Postprocessing of NMR Structures with the Molecular Restrainer: A Universal Tool for High-Quality Protein-Ligand Models and Non-Standard Amino Acid Residues.

  • Authors : Mareš J; Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria.; Tarang GS

Subjects: Proteins*/Proteins*/Proteins*/chemistry ; Software* ; Amino Acids*/Amino Acids*/Amino Acids*/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:

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  • 1-10 ل  4,333 نتائج ل ""Models, Molecular""