Authors : Bu F; College of Chemistry and Chemical Engineering, Qiqihar University, Qiqihar 161006, China.; State Key Laboratory of Organic-Inorganic Composites, Beijing Laboratory of Biomedical Materials, Beijing University of Chemical Technology, Beijing 100029, China.

Subjects: Molecular Dynamics Simulation* ; Molecular Docking Simulation* ; Protein Binding*

Source: Molecules (Basel, Switzerland) [Molecules] 2024 Jul 10; Vol. 29 (14). Date of Electronic Publication: 2024 Jul 10.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Structural Insights into Endostatin-Heparan Sulfate Interactions Using Modeling Approaches.

Authors : Uciechowska-Kaczmarzyk U; Laboratory of Molecular Modeling, Department of Theoretical Chemistry, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdańsk, Poland.; Frank M

Subjects: Endostatins*/Endostatins*/Endostatins*/chemistry ; Endostatins*/Endostatins*/Endostatins*/metabolism ; Molecular Docking Simulation*

Source: Molecules (Basel, Switzerland) [Molecules] 2024 Aug 26; Vol. 29 (17). Date of Electronic Publication: 2024 Aug 26.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

A Combined Computational and Experimental Approach to Studying Tropomyosin Kinase Receptor B Binders for Potential Treatment of Neurodegenerative Diseases.

Authors : Nguyen DD; Department of Mathematics, The University of Tennessee, Knoxville, TN 37996, USA.; Mansur S

Subjects: Receptor, trkB*/Receptor, trkB*/Receptor, trkB*/metabolism ; Receptor, trkB*/Receptor, trkB*/Receptor, trkB*/agonists ; Molecular Docking Simulation*

Source: Molecules (Basel, Switzerland) [Molecules] 2024 Aug 23; Vol. 29 (17). Date of Electronic Publication: 2024 Aug 23.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Quantitative Characterization of the Impact of Protein-Protein Interactions on Ligand-Protein Binding: A Multi-Chain Dynamics Perturbation Analysis Method.

Authors : Li L; College of Biotechnology and Pharmaceutical Engineering, Nanjing Tech University, 30 South Puzhu Road, Jiangbei New District, Nanjing 211816, China.; Li H

Subjects: Protein Binding* ; Proteins*/Proteins*/Proteins*/metabolism ; Proteins*/Proteins*/Proteins*/chemistry

Source: International journal of molecular sciences [Int J Mol Sci] 2024 Aug 23; Vol. 25 (17). Date of Electronic Publication: 2024 Aug 23.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Unveiling novel insights into human IL-6 - IL-6R interaction sites through 3D computer-guided docking and systematic site mutagenesis.

Authors : Li K; Laboratory for Genetic Engineering of Antibodies and Functional Proteins, Beijing Institute of Pharmacology and Toxicology, Beijing, 100850, China.; Cai J

Subjects: Interleukin-6*/Interleukin-6*/Interleukin-6*/metabolism ; Interleukin-6*/Interleukin-6*/Interleukin-6*/genetics ; Receptors, Interleukin-6*/Receptors, Interleukin-6*/Receptors, Interleukin-6*/metabolism

Source: Scientific reports [Sci Rep] 2024 Aug 07; Vol. 14 (1), pp. 18293. Date of Electronic Publication: 2024 Aug 07.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Large-Scale Screening of Per- and Polyfluoroalkyl Substance Binding Interactions and Their Mixtures with Nuclear Receptors.

Authors : Roy S; College of Humanities and Sciences, Virginia Commonwealth University, 907 Floyd Ave, Richmond, VA 23284, USA.; Moran J

Subjects: Receptors, Cytoplasmic and Nuclear*/Receptors, Cytoplasmic and Nuclear*/Receptors, Cytoplasmic and Nuclear*/metabolism ; Receptors, Cytoplasmic and Nuclear*/Receptors, Cytoplasmic and Nuclear*/Receptors, Cytoplasmic and Nuclear*/chemistry ; Molecular Docking Simulation*

Source: International journal of molecular sciences [Int J Mol Sci] 2024 Jul 28; Vol. 25 (15). Date of Electronic Publication: 2024 Jul 28.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Ligand-Receptor Interactions and Structure-Function Relationships in Off-Target Binding of the β 3 -Adrenergic Agonist Mirabegron to α 1A -Adrenergic Receptors.

Authors : Huang R; The First Affiliated Hospital of Guangzhou Medical University, Guangzhou 510180, China.; Yu Q

Subjects: Acetanilides*/Acetanilides*/Acetanilides*/chemistry ; Acetanilides*/Acetanilides*/Acetanilides*/pharmacology ; Acetanilides*/Acetanilides*/Acetanilides*/metabolism

Source: International journal of molecular sciences [Int J Mol Sci] 2024 Jul 07; Vol. 25 (13). Date of Electronic Publication: 2024 Jul 07.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Modeling the Binding of Anticancer Peptides and Mcl-1.

Authors : Alhammadi SHA; Department of Biology, College of Science, United Arab Emirates University, Al Ain P.O. Box 15551, United Arab Emirates.; Baby B

Subjects: Myeloid Cell Leukemia Sequence 1 Protein*/Myeloid Cell Leukemia Sequence 1 Protein*/Myeloid Cell Leukemia Sequence 1 Protein*/metabolism ; Myeloid Cell Leukemia Sequence 1 Protein*/Myeloid Cell Leukemia Sequence 1 Protein*/Myeloid Cell Leukemia Sequence 1 Protein*/chemistry ; Protein Binding*

Source: International journal of molecular sciences [Int J Mol Sci] 2024 Jun 13; Vol. 25 (12). Date of Electronic Publication: 2024 Jun 13.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Exploring Tau Fibril-Disaggregating and Antioxidating Molecules Binding to Membrane-Bound Amyloid Oligomers Using Machine Learning-Enhanced Docking and Molecular Dynamics.

Authors : Segura L; Neuroscience Department, Trinity University, San Antonio, TX 78212, USA.; Santos N

Subjects: tau Proteins*/tau Proteins*/tau Proteins*/metabolism ; tau Proteins*/tau Proteins*/tau Proteins*/chemistry ; Molecular Dynamics Simulation*

Source: Molecules (Basel, Switzerland) [Molecules] 2024 Jun 13; Vol. 29 (12). Date of Electronic Publication: 2024 Jun 13.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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C2-Symmetrical Terphenyl Derivatives as Small Molecule Inhibitors of Programmed Cell Death 1/Programmed Death Ligand 1 Protein-Protein Interaction.

Authors : Klimek J; Department of Organic Chemistry, Faculty of Chemistry, Jagiellonian University, Gronostajowa St. 2, 30-387 Cracow, Poland.; Doctoral School of Exact and Natural Sciences, Jagiellonian University, Prof. St. Łojasiewicza St. 11, 30-348 Cracow, Poland.

Subjects: B7-H1 Antigen*/B7-H1 Antigen*/B7-H1 Antigen*/antagonists & inhibitors ; B7-H1 Antigen*/B7-H1 Antigen*/B7-H1 Antigen*/metabolism ; B7-H1 Antigen*/B7-H1 Antigen*/B7-H1 Antigen*/chemistry

Source: Molecules (Basel, Switzerland) [Molecules] 2024 Jun 04; Vol. 29 (11). Date of Electronic Publication: 2024 Jun 04.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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نتائج البحث

فلترة النتائج

Insight into the Binding Interaction between PEDCs and hERRγ Utilizing Molecular Docking and Molecular Dynamics Simulations.

Structural Insights into Endostatin-Heparan Sulfate Interactions Using Modeling Approaches.

A Combined Computational and Experimental Approach to Studying Tropomyosin Kinase Receptor B Binders for Potential Treatment of Neurodegenerative Diseases.

Quantitative Characterization of the Impact of Protein-Protein Interactions on Ligand-Protein Binding: A Multi-Chain Dynamics Perturbation Analysis Method.

Unveiling novel insights into human IL-6 - IL-6R interaction sites through 3D computer-guided docking and systematic site mutagenesis.

Large-Scale Screening of Per- and Polyfluoroalkyl Substance Binding Interactions and Their Mixtures with Nuclear Receptors.

Ligand-Receptor Interactions and Structure-Function Relationships in Off-Target Binding of the β 3 -Adrenergic Agonist Mirabegron to α 1A -Adrenergic Receptors.

Modeling the Binding of Anticancer Peptides and Mcl-1.

Exploring Tau Fibril-Disaggregating and Antioxidating Molecules Binding to Membrane-Bound Amyloid Oligomers Using Machine Learning-Enhanced Docking and Molecular Dynamics.

C2-Symmetrical Terphenyl Derivatives as Small Molecule Inhibitors of Programmed Cell Death 1/Programmed Death Ligand 1 Protein-Protein Interaction.

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