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  • 1-10 ل  18,377 نتائج ل ""Molecular docking""

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Academic Journal

Computational Modelling and Molecular Docking of Industrial Leather Enzymes.

  • Authors : Sharma N; School of Bioscience and Technology, Department of Biotechnology, Vellore Institute of Technology, Vellore, 632014, Tamil Nadu, India.; Vuppu S

Subjects: Molecular Docking Simulation* ; Carboxylic Ester Hydrolases*/Carboxylic Ester Hydrolases*/Carboxylic Ester Hydrolases*/chemistry ; Carboxylic Ester Hydrolases*/Carboxylic Ester Hydrolases*/Carboxylic Ester Hydrolases*/metabolism

  • Source: Molecular biotechnology [Mol Biotechnol] 2025 Aug; Vol. 67 (8), pp. 2847-2865. Date of Electronic Publication: 2023 Feb 20.Publisher: Springer Country of Publication: Switzerland NLM ID: 9423533 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Mechanism exploration of di(2-ethylhexyl) phthalate (DEHP)-induced breast cancer via network toxicology and molecular docking analysis.

  • Authors : Wang Z; Department of Pharmacy, The First People's Hospital of Lin'an District, & Lin'an People's Hospital Affiliated to HangZhou Medical College, Hangzhou, 311300, China. .; Wang Y

Subjects: Diethylhexyl Phthalate*/Diethylhexyl Phthalate*/Diethylhexyl Phthalate*/toxicity ; Molecular Docking Simulation* ; Breast Neoplasms*/Breast Neoplasms*/Breast Neoplasms*/chemically induced

  • Source: Scientific reports [Sci Rep] 2025 Jul 26; Vol. 15 (1), pp. 27257. Date of Electronic Publication: 2025 Jul 26.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Network toxicology combined with molecular docking technology to explore the molecular mechanism of amatoxin causing liver injury.

  • Authors : Wang C; Department of Emergency Medicine, The Affiliated Hospital of Southwest Medical University, No. 25 Taiping Street, Jiangyang District, Luzhou, Sichuan, China.; Wang X

Subjects: Molecular Docking Simulation* ; Chemical and Drug Induced Liver Injury*/Chemical and Drug Induced Liver Injury*/Chemical and Drug Induced Liver Injury*/metabolism ; Chemical and Drug Induced Liver Injury*/Chemical and Drug Induced Liver Injury*/Chemical and Drug Induced Liver Injury*/etiology

  • Source: Scientific reports [Sci Rep] 2025 Jul 18; Vol. 15 (1), pp. 26068. Date of Electronic Publication: 2025 Jul 18.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Integrating Molecular Dynamics, Molecular Docking, and Machine Learning for Predicting SARS-CoV-2 Papain-like Protease Binders.

  • Authors : Varghese A; National Center for Toxicological Research, U.S. Food and Drug Administration, Jefferson, AR 72079, USA.; Liu J

Subjects: Molecular Docking Simulation* ; Machine Learning* ; Molecular Dynamics Simulation*

  • Source: Molecules (Basel, Switzerland) [Molecules] 2025 Jul 16; Vol. 30 (14). Date of Electronic Publication: 2025 Jul 16.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Molecular docking study and pharmacokinetic insights of rifampicin in pure and capsule dosage forms.

  • Authors : Alassaf NA; Department of Chemistry, College of Education for Pure Science/ Ibn Al-Haitham, University of Baghdad, Baghdad, Iraq.; Hamody AS

Subjects: Rifampin*/Rifampin*/Rifampin*/pharmacokinetics ; Rifampin*/Rifampin*/Rifampin*/chemistry ; Molecular Docking Simulation*

  • Source: Scientific reports [Sci Rep] 2025 Jul 11; Vol. 15 (1), pp. 25174. Date of Electronic Publication: 2025 Jul 11.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Aspartame and ischemic stroke: unraveling the molecular link through network toxicology and molecular docking analysis.

  • Authors : Zhang T; Department of Neurosurgery, The Affiliated Hospital of Southwest Medical University, Luzhou, Sichuan, China.; Wang T

Subjects: Aspartame*/Aspartame*/Aspartame*/toxicity ; Aspartame*/Aspartame*/Aspartame*/adverse effects ; Aspartame*/Aspartame*/Aspartame*/chemistry

  • Source: Scientific reports [Sci Rep] 2025 Jul 04; Vol. 15 (1), pp. 23871. Date of Electronic Publication: 2025 Jul 04.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Subtractive proteomics and molecular docking identify therapeutic targets and drug candidates in drug resistant Klebsiella Michiganensis THO-011.

  • Authors : Alanzi AR; Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia. .; Alanazi AZ

Subjects: Klebsiella*/Klebsiella*/Klebsiella*/drug effects ; Klebsiella*/Klebsiella*/Klebsiella*/metabolism ; Klebsiella*/Klebsiella*/Klebsiella*/genetics

  • Source: Scientific reports [Sci Rep] 2025 Jul 03; Vol. 15 (1), pp. 23776. Date of Electronic Publication: 2025 Jul 03.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Quantum chemical modeling, molecular docking, and ADMET evaluation of imidazole phenothiazine hybrids.

  • Authors : Shukla D; Department of Chemistry, Integral University, Dasauli, P.O. Bas-ha, Kursi Road, Lucknow, UP, 226026, India.; Azad I

Subjects: Phenothiazines*/Phenothiazines*/Phenothiazines*/chemistry ; Phenothiazines*/Phenothiazines*/Phenothiazines*/pharmacology ; Phenothiazines*/Phenothiazines*/Phenothiazines*/pharmacokinetics

  • Source: Scientific reports [Sci Rep] 2025 Jul 02; Vol. 15 (1), pp. 23413. Date of Electronic Publication: 2025 Jul 02.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Using network toxicology and molecular docking to identify core targets and pathways underlying tacrolimus-induced tremor in organ transplant recipients.

  • Authors : Liu C; Department of Organ Transplantation, Affiliated Hospital of Guizhou Medical University, Guiyang, 550000, Guizhou Province, China.; Urinary Surgery, the Affiliated Hospital of Guizhou Medical University, Guiyang, 550000, Guizhou Province, China.

Subjects: Molecular Docking Simulation* ; Tacrolimus*/Tacrolimus*/Tacrolimus*/adverse effects ; Tacrolimus*/Tacrolimus*/Tacrolimus*/chemistry

  • Source: Scientific reports [Sci Rep] 2025 Jul 02; Vol. 15 (1), pp. 22817. Date of Electronic Publication: 2025 Jul 02.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Integrated network pharmacology, molecular docking and experimental validation to explore the mechanism of Dingji Fumai Decoction against LQTS.

  • Authors : Huang X; Ningbo Institute of Innovation for Combined Medicine and Engineering, Ningbo Medical Center Lihuili Hospital, Ningbo, 315100, Zhejiang, China. .; Jin Y

Subjects: Molecular Docking Simulation* ; Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/pharmacology ; Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/chemistry

  • Source: Scientific reports [Sci Rep] 2025 Jul 02; Vol. 15 (1), pp. 23037. Date of Electronic Publication: 2025 Jul 02.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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  • 1-10 ل  18,377 نتائج ل ""Molecular docking""