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Academic Journal

Characterization of the interactions between Fulvic acid and Trypsin with Spectroscopic and Molecular Docking technology.

  • Authors : Sun J; School of Chemistry and Chemical Engineering, Inner Mongolia University of Science and Technology, Baotou, 014010, China.; Wang X

Subjects: Molecular Docking Simulation* ; Benzopyrans*; Trypsin/Trypsin/Trypsin/chemistry

  • Source: Chemistry & biodiversity [Chem Biodivers] 2024 Feb; Vol. 21 (2), pp. e202301366. Date of Electronic Publication: 2024 Jan 12.Publisher: Verlag Helvetica Chimica Acta Country of Publication: Switzerland NLM ID: 101197449 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Machine Learning-Based Drug Repositioning of Novel Janus Kinase 2 Inhibitors Utilizing Molecular Docking and Molecular Dynamic Simulation.

  • Authors : Yasir M; Department of Pharmacology, Kangwon National University School of Medicine, Chuncheon 24341, Republic of Korea.; Park J

Subjects: Drug Repositioning* ; Molecular Docking Simulation* ; Molecular Dynamics Simulation*

  • Source: Journal of chemical information and modeling [J Chem Inf Model] 2023 Nov 13; Vol. 63 (21), pp. 6487-6500. Date of Electronic Publication: 2023 Oct 31.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Quinoxalinone substituted pyrrolizine (4h)-induced dual inhibition of AKT and ERK instigates apoptosis in breast and colorectal cancer by modulating mitochondrial membrane potential.

  • Authors : Amin T; Pharmacology Division, CSIR-Indian Institute of Integrative Medicine, Jammu, 180001, India; Academy of Scientific & Innovative Research (AcSIR), Ghaziabad, India.

Subjects: Breast Neoplasms*/Breast Neoplasms*/Breast Neoplasms*/drug therapy ; Colorectal Neoplasms*/Colorectal Neoplasms*/Colorectal Neoplasms*/drug therapy ; Molecular Docking Simulation*

  • Source: European journal of pharmacology [Eur J Pharmacol] 2023 Oct 15; Vol. 957, pp. 175945. Date of Electronic Publication: 2023 Aug 03.Publisher: Elsevier Science Country of Publication: Netherlands NLM ID: 1254354 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Protein-Ligand CH-π Interactions: Structural Informatics, Energy Function Development, and Docking Implementation.

  • Authors : Xiao Y; Complex Carbohydrate Research Center, University of Georgia, Athens, Georgia 30602, United States.; Woods RJ

Subjects: Molecular Docking Simulation*/Molecular Docking Simulation*/Molecular Docking Simulation*/methods; Ligands ; Protein Binding

  • Source: Journal of chemical theory and computation [J Chem Theory Comput] 2023 Aug 22; Vol. 19 (16), pp. 5503-5515. Date of Electronic Publication: 2023 Jul 26.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Predicting the molecular mechanism-driven progression of breast cancer through comprehensive network pharmacology and molecular docking approach.

  • Authors : Vyas B; School of Interdisciplinary Science and Technology, Jamia Hamdard, New Delhi, India.; Kumar S

Subjects: Network Pharmacology* ; Breast Neoplasms*/Breast Neoplasms*/Breast Neoplasms*/drug therapy ; Breast Neoplasms*/Breast Neoplasms*/Breast Neoplasms*/metabolism

  • Source: Scientific reports [Sci Rep] 2023 Aug 22; Vol. 13 (1), pp. 13729. Date of Electronic Publication: 2023 Aug 22.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

The LightDock Server: Artificial Intelligence-powered modeling of macromolecular interactions.

Subjects: Artificial Intelligence* ; Computational Biology*/Computational Biology*/Computational Biology*/instrumentation ; Computational Biology*/Computational Biology*/Computational Biology*/methods

  • Source: Nucleic acids research [Nucleic Acids Res] 2023 Jul 05; Vol. 51 (W1), pp. W298-W304.Publisher: Oxford University Press Country of Publication: England NLM ID: 0411011 Publication Model: Print Cited Medium: Internet ISSN:

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Academic Journal

Data mining and structural analysis for multi-tissue regeneration potential of BMP-4 and activator drugs.

  • Authors : Tyagi N; Stem Cell & Gene Therapy Research Group, Institute of Nuclear Medicine and Allied Sciences (INMAS), Defence Research and Development Organisation (DRDO), Delhi, India.; Gambhir K

Subjects: Molecular Docking Simulation*

  • Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Jul; Vol. 41 (10), pp. 4405-4420. Date of Electronic Publication: 2022 May 01.Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Fragment Linker Prediction Using the Deep Encoder-Decoder Network for PROTACs Drug Design.

  • Authors : Kao CT; AnHorn Medicines Co., Ltd., Taipei 115202, Taiwan.; Lin CT

Subjects: Molecular Docking Simulation* ; Drug Design*; Proteolysis

  • Source: Journal of chemical information and modeling [J Chem Inf Model] 2023 May 22; Vol. 63 (10), pp. 2918-2927. Date of Electronic Publication: 2023 May 07.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Mechanistic insights into Qiteng Xiaozhuo Granules' regulation of autophagy for chronic glomerulonephritis treatment: Serum pharmacochemistry, network pharmacology, and experimental validation.

  • Authors : Liu T; Department of Pharmacy, The First Affiliated Hospital of Anhui University of Chinese Medicine, Hefei, 230012, Anhui, China; College of Pharmacy, Anhui University of Chinese Medicine, Hefei, 230011, Anhui, China. Electronic address: .

Subjects: Glomerulonephritis*/Glomerulonephritis*/Glomerulonephritis*/drug therapy ; Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/pharmacology ; Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/therapeutic use

  • Source: Journal of ethnopharmacology [J Ethnopharmacol] 2024 Apr 24; Vol. 324, pp. 117819. Date of Electronic Publication: 2024 Jan 28.Publisher: Elsevier Sequoia Country of Publication: Ireland NLM ID: 7903310 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Zhisou powder suppresses airway inflammation in LPS and CS-induced post-infectious cough model mice via TRPA1/TRPV1 channels.

  • Authors : Xu Y; Respiratory Department and Central Laboratory, Baoshan District Hospital of Integrated Traditional Chinese and Western Medicine of Shanghai, Shanghai 201999, China; School of Pharmacy, Shaanxi Univesity of Chinese Medicine, Shaanxi, Xianyang 712046, China.

Subjects: Lipopolysaccharides*/Lipopolysaccharides*/Lipopolysaccharides*/toxicity ; TRPV Cation Channels*/TRPV Cation Channels*/TRPV Cation Channels*/metabolism; Mice

  • Source: Journal of ethnopharmacology [J Ethnopharmacol] 2024 Apr 24; Vol. 324, pp. 117741. Date of Electronic Publication: 2024 Jan 13.Publisher: Elsevier Sequoia Country of Publication: Ireland NLM ID: 7903310 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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  • 1-10 of  89,165 results for ""MOLECULAR docking""