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  • 1-10 ل  6,604 نتائج ل ""Models, Molecular""
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Subject : peptides
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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: Internet ISSN: 2218-273X

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Academic Journal

Two Methods for Superposing the Structures of Like-Molecule Assemblies: Application to Peptide and Protein Oligomers and Aggregates.

  • Authors : Liwo A; Faculty of Chemistry, University of Gdańsk, Fahrenheit Union of Universities, Wita Stwosza 63, 80-308 Gdańsk, Poland.; Leśniewski M

Subjects: Peptides*/Peptides*/Peptides*/chemistry ; Proteins*/Proteins*/Proteins*/chemistry ; Protein Aggregates*

  • Source: Molecules (Basel, Switzerland) [Molecules] 2025 Mar 04; Vol. 30 (5). Date of Electronic Publication: 2025 Mar 04.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Structures of HCoV-OC43 HR1 Domain in Complex with Cognate HR2 or Analogue EK1 Peptide.

  • Authors : He X; School of Food Science and Pharmaceutical Engineering, Nanjing Normal University, Nanjing 210023, China.; Shanghai Institute for Advanced Immunochemical Studies, ShanghaiTech University, Shanghai 201210, China.

Subjects: Coronavirus OC43, Human*/Coronavirus OC43, Human*/Coronavirus OC43, Human*/chemistry ; Coronavirus OC43, Human*/Coronavirus OC43, Human*/Coronavirus OC43, Human*/metabolism ; Spike Glycoprotein, Coronavirus*/Spike Glycoprotein, Coronavirus*/Spike Glycoprotein, Coronavirus*/chemistry

  • Source: Viruses [Viruses] 2025 Feb 28; Vol. 17 (3). Date of Electronic Publication: 2025 Feb 28.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101509722 Publication Model: Electronic Cited Medium: Internet ISSN: 1999-4915

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Academic Journal

De Novo Design of Large Polypeptides Using a Lightweight Diffusion Model Integrating LSTM and Attention Mechanism Under Per-Residue Secondary Structure Constraints.

  • Authors : Liao S; School of Life Sciences, Fudan University, Shanghai 200433, China.; Xu G

Subjects: Peptides*/Peptides*/Peptides*/chemistry; Protein Structure, Secondary ; Neural Networks, Computer

  • Source: Molecules (Basel, Switzerland) [Molecules] 2025 Feb 28; Vol. 30 (5). Date of Electronic Publication: 2025 Feb 28.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Kinetic Isotope Effect in the Unfolding of a Protein Secondary Structure: Calculations for Beta-Sheet Polyglycine Dimers as a Model.

  • Authors : Yanshin AO; Institute of Chemical Kinetics and Combustion SB RAS, 3 Institutskaya Street, Novosibirsk 630090, Russia.; Department of Physics, Novosibirsk State University, 1 Pirogova Street, Novosibirsk 630090, Russia.

Subjects: Protein Unfolding* ; Peptides*/Peptides*/Peptides*/chemistry; Kinetics

  • Source: Biomolecules [Biomolecules] 2025 Jan 09; Vol. 15 (1). Date of Electronic Publication: 2025 Jan 09.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101596414 Publication Model: Electronic Cited Medium: Internet ISSN: 2218-273X

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Academic Journal

Design, Structure-Activity Relationships, and Computational Modeling Studies of a Series of α-Helix Biased, Ultra-Short Glucagon-like Peptide-1 Receptor Agonists.

  • Authors : Sawyer JR; Resolute Bio, 48 Dunham Rd., Suite 5400, Beverly, MA 01915, USA.; Department of Chemistry and Biochemistry, The University of Arizona, 1306 E. University Blvd, Tucson, AZ 85721, USA.

Subjects: Glucagon-Like Peptide-1 Receptor Agonists* ; Drug Design* ; Glucagon-Like Peptide 1*/Glucagon-Like Peptide 1*/Glucagon-Like Peptide 1*/chemistry

  • Source: Molecules (Basel, Switzerland) [Molecules] 2024 Dec 24; Vol. 30 (1). Date of Electronic Publication: 2024 Dec 24.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Characterizing Interactions Between Small Peptides and Dimethyl Sulfoxide Using Infrared Spectroscopy and Computational Methods.

  • Authors : Panuszko A; Department of Physical Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, Poland.; Pastwa P

Subjects: Dimethyl Sulfoxide*/Dimethyl Sulfoxide*/Dimethyl Sulfoxide*/chemistry ; Hydrogen Bonding* ; Peptides*/Peptides*/Peptides*/chemistry

  • Source: Molecules (Basel, Switzerland) [Molecules] 2024 Dec 12; Vol. 29 (24). Date of Electronic Publication: 2024 Dec 12.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Rapid prediction of key residues for foldability by machine learning model enables the design of highly functional libraries with hyperstable constrained peptide scaffolds.

  • Authors : Cai F; Departments of Biological Chemistry, Genentech, Inc., South San Francisco, California, United States of America.; Wei Y

Subjects: Peptide Library* ; Machine Learning* ; Protein Folding*

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 Nov 18; Vol. 20 (11), pp. e1012609. Date of Electronic Publication: 2024 Nov 18 (Print Publication: 2024).Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Protein A-like Peptide Design Based on Diffusion and ESM2 Models.

  • Authors : Zhao L; Department of Pharmaceutics, Beijing Institute of Petrochemical Technology, Beijing 102627, China.; Department of Computer Science, Beijing Institute of Petrochemical Technology, Beijing 102627, China.

Subjects: Peptides*/Peptides*/Peptides*/chemistry; Models, Molecular ; Diffusion

  • Source: Molecules (Basel, Switzerland) [Molecules] 2024 Oct 21; Vol. 29 (20). Date of Electronic Publication: 2024 Oct 21.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Peptide Activator Stabilizes DJ-1 Structure and Enhances Its Activity.

  • Authors : Shih JY; Department of Chemistry, Tunghai University, No. 1727, Sec. 4, Taiwan Boulevard, Xitun District, Taichung 40704, Taiwan.; Hsu YH

Subjects: Protein Deglycase DJ-1*/Protein Deglycase DJ-1*/Protein Deglycase DJ-1*/metabolism ; Protein Deglycase DJ-1*/Protein Deglycase DJ-1*/Protein Deglycase DJ-1*/chemistry ; Protein Deglycase DJ-1*/Protein Deglycase DJ-1*/Protein Deglycase DJ-1*/genetics

  • Source: International journal of molecular sciences [Int J Mol Sci] 2024 Oct 15; Vol. 25 (20). Date of Electronic Publication: 2024 Oct 15.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  6,604 نتائج ل ""Models, Molecular""