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  • 1-10 ل  4,397 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

mPGES-1 Inhibitor Discovery Based on Computer-Aided Screening: Pharmacophore Models, Molecular Docking, ADMET, and MD Simulations.

Subjects: *Molecular dynamics; *Binding energy; *High throughput screening (Drug development)

  • Source: Molecules. Aug2023, Vol. 28 Issue 16, p6059. 16p.

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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

EGG: Accuracy Estimation of Individual Multimeric Protein Models Using Deep Energy-Based Models and Graph Neural Networks.

  • Authors : Siciliano AJ; Department of Computer Science, University of Miami, 1365 Memorial Drive, Coral Gables, FL 33124, USA.; Zhao C

Subjects: Neural Networks, Computer* ; Proteins*/Proteins*/Proteins*/chemistry ; Proteins*/Proteins*/Proteins*/metabolism

  • Source: International journal of molecular sciences [Int J Mol Sci] 2024 Jun 06; Vol. 25 (11). Date of Electronic Publication: 2024 Jun 06.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium:

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Academic Journal

Structural Analysis of the Large Stokes Shift Red Fluorescent Protein tKeima.

  • Authors : Nam KH; College of General Education, Kookmin University, Seoul 02707, Republic of Korea.; Xu Y

Subjects: Luminescent Proteins*/Luminescent Proteins*/Luminescent Proteins*/chemistry ; Red Fluorescent Protein* ; Models, Molecular*

  • Source: Molecules (Basel, Switzerland) [Molecules] 2024 May 30; Vol. 29 (11). Date of Electronic Publication: 2024 May 30.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium:

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  • 1-10 ل  4,397 نتائج ل ""Models, Molecular""