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Molecular Dynamics Inc docking analyses
Docking Analyses, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/docking+analyses/analyses+docking/pmc12972508-65-4-0
Average 86 stars, based on 1 article reviews
docking analyses - by Bioz Stars, 2026-09
86/100 stars

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Related Articles

Binding Assay:

Article Title: CD160 dictates anti-PD-1 immunotherapy resistance by regulating CD8 + T cell exhaustion in colorectal cancer.
Article Snippet: The colon exhibits higher propensity for tumour development than ileum.. However, the role of immune microenvironment differences in driving this disparity remains unclear.. Here, by comparing paired ileum and colon samples from patients with colorectal cancer (CRC) and healthy donors, we identified ileum-enriched CD160CD8 T cells with previously unrecognized characteristics, including resistance to terminal exhaustion and strong clonal expansion.

Article Title: Mapping Immune-Inflammatory Niches on Zirconia Bone Implants: Single-Cell Transcriptomic Profiling
Article Snippet: .. Molecular dynamics simulations and docking analyses of COL1A1 and SDC1 by using PyMOL revealed multiple high-affinity binding sites, indicating strong interaction potential (Fig. F). ..

Article Title: A NADH Oxidase Nanozyme Restores Redox Homeostasis to Ameliorate Multi-Organ Aging and Ischemic Cardiomyopathy
Article Snippet: .. Molecular dynamics and molecular docking simulation identified specific binding sites on CX43, including Lys 188 , Tyr 175 , Ile 176 , Tyr 177 , Trp 174 , Phe 179 , Leu 181 , Gly 178 , Ser 182 , and Ser 180 (Fig. H and Fig. A). ..

Protein-Protein interactions:

Article Title: Periodontal Implications of Porphyromonas gingivalis-Derived Metabolites in Host Antioxidant and Anti-Inflammatory Mechanisms: A Computational Analysis
Article Snippet: .. Keywords: Inflammation • Molecular Docking Simulation • Molecular Dynamics Simulation • Oxidative Stress • Porphyromonas gingivalis Abbreviations: P. gingivalis – Porphyromonas gingivalis; ROS – reactive oxygen species; PON1 – paraoxonase 1; PDB – Protein Data Bank; PPI – protein–protein interaction; VMH Database – Virtual Metabolic Human Database; STRING database – Search Tool for the Retrieval of Interacting Genes/Proteins Database; MD Simulation – molecular dynamic simulation; RMSD – root-mean-square deviation; RMSF – rootmean-square fluctuation; Rg – radius of gyration; SASA – solvent-accessible surface area; HB – hydrogen bond; ADMET – absorption, distribution, metabolism, excretion, and toxicity; HPA – Human Protein Atlas; SPR – surface plasmon resonance; ITC – isothermal titration calorimetry Full-text PDF: https://www.medscimonit.com/abstract/index/idArt/949167 Authors’ Contribution: Study Design A Data Collection B Statistical Analysis C Data Interpretation D Manuscript Preparation E Literature Search F Funds Collection G 1 Department of Diagnostic Dental Sciences and Oral Biology, College of Dentistry, King Khalid University, Abha, Saudi Arabia 2 Department of Periodontics and Community Dentistry, College of Dentistry, King Khalid University, Abha, Saudi Arabia 3 College of Dental Medicine, Roseman University of Health Sciences, South Jordan, UT, USA 4 College of Graduate Studies, Roseman University of Health Sciences, South Jordan, UT, USA e-ISSN 1643-3750 © Med Sci Monit, 2025; 31: e949167 DOI: 10.12659/MSM.949167 Publisher’s note: All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. ..

Solvent:

Article Title: Periodontal Implications of Porphyromonas gingivalis-Derived Metabolites in Host Antioxidant and Anti-Inflammatory Mechanisms: A Computational Analysis
Article Snippet: .. Keywords: Inflammation • Molecular Docking Simulation • Molecular Dynamics Simulation • Oxidative Stress • Porphyromonas gingivalis Abbreviations: P. gingivalis – Porphyromonas gingivalis; ROS – reactive oxygen species; PON1 – paraoxonase 1; PDB – Protein Data Bank; PPI – protein–protein interaction; VMH Database – Virtual Metabolic Human Database; STRING database – Search Tool for the Retrieval of Interacting Genes/Proteins Database; MD Simulation – molecular dynamic simulation; RMSD – root-mean-square deviation; RMSF – rootmean-square fluctuation; Rg – radius of gyration; SASA – solvent-accessible surface area; HB – hydrogen bond; ADMET – absorption, distribution, metabolism, excretion, and toxicity; HPA – Human Protein Atlas; SPR – surface plasmon resonance; ITC – isothermal titration calorimetry Full-text PDF: https://www.medscimonit.com/abstract/index/idArt/949167 Authors’ Contribution: Study Design A Data Collection B Statistical Analysis C Data Interpretation D Manuscript Preparation E Literature Search F Funds Collection G 1 Department of Diagnostic Dental Sciences and Oral Biology, College of Dentistry, King Khalid University, Abha, Saudi Arabia 2 Department of Periodontics and Community Dentistry, College of Dentistry, King Khalid University, Abha, Saudi Arabia 3 College of Dental Medicine, Roseman University of Health Sciences, South Jordan, UT, USA 4 College of Graduate Studies, Roseman University of Health Sciences, South Jordan, UT, USA e-ISSN 1643-3750 © Med Sci Monit, 2025; 31: e949167 DOI: 10.12659/MSM.949167 Publisher’s note: All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. ..

SPR Assay:

Article Title: Periodontal Implications of Porphyromonas gingivalis-Derived Metabolites in Host Antioxidant and Anti-Inflammatory Mechanisms: A Computational Analysis
Article Snippet: .. Keywords: Inflammation • Molecular Docking Simulation • Molecular Dynamics Simulation • Oxidative Stress • Porphyromonas gingivalis Abbreviations: P. gingivalis – Porphyromonas gingivalis; ROS – reactive oxygen species; PON1 – paraoxonase 1; PDB – Protein Data Bank; PPI – protein–protein interaction; VMH Database – Virtual Metabolic Human Database; STRING database – Search Tool for the Retrieval of Interacting Genes/Proteins Database; MD Simulation – molecular dynamic simulation; RMSD – root-mean-square deviation; RMSF – rootmean-square fluctuation; Rg – radius of gyration; SASA – solvent-accessible surface area; HB – hydrogen bond; ADMET – absorption, distribution, metabolism, excretion, and toxicity; HPA – Human Protein Atlas; SPR – surface plasmon resonance; ITC – isothermal titration calorimetry Full-text PDF: https://www.medscimonit.com/abstract/index/idArt/949167 Authors’ Contribution: Study Design A Data Collection B Statistical Analysis C Data Interpretation D Manuscript Preparation E Literature Search F Funds Collection G 1 Department of Diagnostic Dental Sciences and Oral Biology, College of Dentistry, King Khalid University, Abha, Saudi Arabia 2 Department of Periodontics and Community Dentistry, College of Dentistry, King Khalid University, Abha, Saudi Arabia 3 College of Dental Medicine, Roseman University of Health Sciences, South Jordan, UT, USA 4 College of Graduate Studies, Roseman University of Health Sciences, South Jordan, UT, USA e-ISSN 1643-3750 © Med Sci Monit, 2025; 31: e949167 DOI: 10.12659/MSM.949167 Publisher’s note: All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. ..

Isothermal Titration Calorimetry:

Article Title: Periodontal Implications of Porphyromonas gingivalis-Derived Metabolites in Host Antioxidant and Anti-Inflammatory Mechanisms: A Computational Analysis
Article Snippet: .. Keywords: Inflammation • Molecular Docking Simulation • Molecular Dynamics Simulation • Oxidative Stress • Porphyromonas gingivalis Abbreviations: P. gingivalis – Porphyromonas gingivalis; ROS – reactive oxygen species; PON1 – paraoxonase 1; PDB – Protein Data Bank; PPI – protein–protein interaction; VMH Database – Virtual Metabolic Human Database; STRING database – Search Tool for the Retrieval of Interacting Genes/Proteins Database; MD Simulation – molecular dynamic simulation; RMSD – root-mean-square deviation; RMSF – rootmean-square fluctuation; Rg – radius of gyration; SASA – solvent-accessible surface area; HB – hydrogen bond; ADMET – absorption, distribution, metabolism, excretion, and toxicity; HPA – Human Protein Atlas; SPR – surface plasmon resonance; ITC – isothermal titration calorimetry Full-text PDF: https://www.medscimonit.com/abstract/index/idArt/949167 Authors’ Contribution: Study Design A Data Collection B Statistical Analysis C Data Interpretation D Manuscript Preparation E Literature Search F Funds Collection G 1 Department of Diagnostic Dental Sciences and Oral Biology, College of Dentistry, King Khalid University, Abha, Saudi Arabia 2 Department of Periodontics and Community Dentistry, College of Dentistry, King Khalid University, Abha, Saudi Arabia 3 College of Dental Medicine, Roseman University of Health Sciences, South Jordan, UT, USA 4 College of Graduate Studies, Roseman University of Health Sciences, South Jordan, UT, USA e-ISSN 1643-3750 © Med Sci Monit, 2025; 31: e949167 DOI: 10.12659/MSM.949167 Publisher’s note: All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. ..

Diagnostic Assay:

Article Title: Periodontal Implications of Porphyromonas gingivalis-Derived Metabolites in Host Antioxidant and Anti-Inflammatory Mechanisms: A Computational Analysis
Article Snippet: .. Keywords: Inflammation • Molecular Docking Simulation • Molecular Dynamics Simulation • Oxidative Stress • Porphyromonas gingivalis Abbreviations: P. gingivalis – Porphyromonas gingivalis; ROS – reactive oxygen species; PON1 – paraoxonase 1; PDB – Protein Data Bank; PPI – protein–protein interaction; VMH Database – Virtual Metabolic Human Database; STRING database – Search Tool for the Retrieval of Interacting Genes/Proteins Database; MD Simulation – molecular dynamic simulation; RMSD – root-mean-square deviation; RMSF – rootmean-square fluctuation; Rg – radius of gyration; SASA – solvent-accessible surface area; HB – hydrogen bond; ADMET – absorption, distribution, metabolism, excretion, and toxicity; HPA – Human Protein Atlas; SPR – surface plasmon resonance; ITC – isothermal titration calorimetry Full-text PDF: https://www.medscimonit.com/abstract/index/idArt/949167 Authors’ Contribution: Study Design A Data Collection B Statistical Analysis C Data Interpretation D Manuscript Preparation E Literature Search F Funds Collection G 1 Department of Diagnostic Dental Sciences and Oral Biology, College of Dentistry, King Khalid University, Abha, Saudi Arabia 2 Department of Periodontics and Community Dentistry, College of Dentistry, King Khalid University, Abha, Saudi Arabia 3 College of Dental Medicine, Roseman University of Health Sciences, South Jordan, UT, USA 4 College of Graduate Studies, Roseman University of Health Sciences, South Jordan, UT, USA e-ISSN 1643-3750 © Med Sci Monit, 2025; 31: e949167 DOI: 10.12659/MSM.949167 Publisher’s note: All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. ..



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