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Academic Journal

Remediation of multifarious metal ions and molecular docking assessment for pathogenic microbe disinfection in aqueous solution by waste-derived Ca-MOF.

  • Authors : K AK; Department of Chemical Engineering, Birla Institute of Technology and Science, Pilani, 333031, India.; Mahesh Y

Subjects: Cadmium* ; Disinfection* ; Phthalic Acids*

  • Source: Environmental science and pollution research international [Environ Sci Pollut Res Int] 2024 Mar; Vol. 31 (14), pp. 21545-21567. Date of Electronic Publication: 2024 Feb 23.Publisher: Springer Country of Publication: Germany NLM ID: 9441769 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Assessment of the Anti-Breast Cancer Effects of Urolithin with Molecular Docking Studies in the In Vitro Condition: Introducing a Novel Chemotherapeutic Drug.

  • Authors : Han L; Department of General Surgery, Sijing Hospital of Songjiang District Shanghai, Shanghai, 201601, China.; Zhao D

Subjects: Aldehyde Reductase* ; Breast Neoplasms*/Breast Neoplasms*/Breast Neoplasms*/drug therapy; Humans

  • Source: Molecular biotechnology [Mol Biotechnol] 2024 Mar; Vol. 66 (3), pp. 554-566. Date of Electronic Publication: 2023 Jun 06.Publisher: Springer Country of Publication: Switzerland NLM ID: 9423533 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Computational-based investigation of antioxidative potential polyphenolic compounds of Salvia officinalis L.: combined DFT and molecular docking approaches.

  • Authors : Bendaas R; Laboratory of Applied Energy and Materials (LEAM), University of Jijel, Jijel, Algeria.; Bekkar Y

Subjects: Antioxidants*/Antioxidants*/Antioxidants*/pharmacology ; Salvia officinalis* ; Abietanes*

  • Source: Journal of molecular modeling [J Mol Model] 2024 Feb 28; Vol. 30 (3), pp. 87. Date of Electronic Publication: 2024 Feb 28.Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet

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Academic Journal

Phillyrin: an adipose triglyceride lipase inhibitor supported by molecular docking, dynamics simulation, and pharmacological validation.

  • Authors : Zhou C; School of Pharmacy, Anhui University of Chinese Medicine, Xinzhan District, Hefei, 230012, China.; Yan L

Subjects: Lipase*/Lipase*/Lipase*/metabolism ; Lipolysis*/Lipolysis*/Lipolysis*/physiology ; Glucosides*

  • Source: Journal of molecular modeling [J Mol Model] 2024 Feb 13; Vol. 30 (3), pp. 68. Date of Electronic Publication: 2024 Feb 13.Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet

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Academic Journal

Molecular docking and molecular dynamics simulation decoding molecular mechanism of EDCs binding to hERRγ.

  • Authors : Sun Y; College of Chemistry and Chemical Engineering, Qiqihar University, Qiqihar, 161006, China.; Chen L

Subjects: Molecular Dynamics Simulation* ; Endocrine Disruptors*; Humans

  • Source: Journal of molecular modeling [J Mol Model] 2024 Apr 09; Vol. 30 (5), pp. 127. Date of Electronic Publication: 2024 Apr 09.Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet

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Academic Journal

In Silico Study in MPO and Molecular Docking of the Synthetic Drynaran Analogues Against the Chronic Tinnitus: Modulation of the M1 Muscarinic Acetylcholine Receptor.

  • Authors : da Rocha MN; Graduate Program in Natural Sciences, Center for Science and Technology, State University of Ceará, Fortaleza, CE, Brazil. .; da Fonseca AM

Subjects: Receptor, Muscarinic M1*/Receptor, Muscarinic M1*/Receptor, Muscarinic M1*/chemistry ; Tinnitus*/Tinnitus*/Tinnitus*/drug therapy; Humans

  • Source: Molecular biotechnology [Mol Biotechnol] 2024 Feb; Vol. 66 (2), pp. 254-269. Date of Electronic Publication: 2023 Apr 20.Publisher: Springer Country of Publication: Switzerland NLM ID: 9423533 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Comprehensive analysis of the function of helicobacter-associated ferroptosis gene YWHAE in gastric cancer through multi-omics integration, molecular docking, and machine learning.

  • Authors : Liu D; Department of Gastroenterology, Digestive Disease Hospital, The First Affiliated Hospital of Nanchang University, Nanchang, Jiangxi, China.; Gastroenterology Institute of Jiangxi Province, Nanchang, Jiangxi, China.

Subjects: Helicobacter*/Helicobacter*/Helicobacter*/metabolism ; Stomach Neoplasms*/Stomach Neoplasms*/Stomach Neoplasms*/genetics ; Stomach Neoplasms*/Stomach Neoplasms*/Stomach Neoplasms*/pathology

  • Source: Apoptosis : an international journal on programmed cell death [Apoptosis] 2024 Apr; Vol. 29 (3-4), pp. 439-456. Date of Electronic Publication: 2023 Nov 24.Publisher: Springer Country of Publication: Netherlands NLM ID: 9712129 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

In vitro anticancer activity of Hirudinaria manillensis methanolic extract and its validation using in silico molecular docking approach.

  • Authors : Zeebul Trinita Shannan P; PG and Research Department of Zoology, Bishop Heber College, Affiliated to Bharathidasan University, Tiruchirappalli, Tamil Nadu, 620017, India.; Suganya SG

Subjects: Methanol* ; Plant Extracts*/Plant Extracts*/Plant Extracts*/pharmacology; Animals

  • Source: Medical oncology (Northwood, London, England) [Med Oncol] 2024 Mar 15; Vol. 41 (4), pp. 88. Date of Electronic Publication: 2024 Mar 15.Publisher: Springer Country of Publication: United States NLM ID: 9435512 Publication Model: Electronic Cited Medium:

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Academic Journal

Molecular Docking Analysis at the Human α7-nAChR and Proliferative and Evoked-Calcium Changes in SH-SY5Y Cells by Imidacloprid and Acetamiprid Insecticides.

Subjects: Insecticides*/Insecticides*/Insecticides*/toxicity ; Neuroblastoma* ; Receptors, Nicotinic*

  • Source: Neurotoxicity research [Neurotox Res] 2024 Feb 20; Vol. 42 (2), pp. 16. Date of Electronic Publication: 2024 Feb 20.Publisher: Springer Country of Publication: United States NLM ID: 100929017 Publication Model: Electronic Cited Medium:

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Academic Journal

Identifying and characterising promising small molecule inhibitors of kinesin spindle protein using ligand-based virtual screening, molecular docking, molecular dynamics and MM‑GBSA calculations.

  • Authors : Elseginy SA; Chemical Industries Research Division, Green Chemistry Department, National Research Centre, Cairo, 12622, Egypt. .

Subjects: Molecular Dynamics Simulation* ; Kinesins*/Kinesins*/Kinesins*/metabolism; Molecular Docking Simulation

  • Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2024 Apr 01; Vol. 38 (1), pp. 16. Date of Electronic Publication: 2024 Apr 01.Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium:

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  • 1-10 of  4,328 results for ""MOLECULAR docking""