Item request has been placed! ×
Item request cannot be made. ×
loading  Processing Request

نتائج البحث

Filter
  • 1-10 ل  6,921 نتائج ل ""Molecular docking""
Item request has been placed! ×
Item request cannot be made. ×
loading  Processing Request
Academic Journal

Molecular Docking of Endolysins for Studying Peptidoglycan Binding Mechanism.

  • Authors : Arakelian AG; Institute of Theoretical and Experimental Biophysics, RAS, Institutskaya ul., 3, 142290 Pushchino, Moscow Oblast, Russia.; Chuev GN

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

  • Source: Molecules (Basel, Switzerland) [Molecules] 2024 Nov 15; Vol. 29 (22). Date of Electronic Publication: 2024 Nov 15.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

تفاصيل العنوان

×
Academic Journal

Investigate the binding of pesticides with the TLR4 receptor protein found in mammals and zebrafish using molecular docking and molecular dynamics simulations.

  • Authors : Yadav S; Department of Chemistry, Atma Ram Sanatan Dharma College, University of Delhi, Delhi, India.; Department of Chemistry, Faculty of Engineering and Technology, SRM Institute of Science and Technology, Delhi-NCR Campus, Modinagar, Ghaziabad, Uttar Pradesh, India.

Subjects: Molecular Docking Simulation* ; Molecular Dynamics Simulation* ; Toll-Like Receptor 4*/Toll-Like Receptor 4*/Toll-Like Receptor 4*/metabolism

  • Source: Scientific reports [Sci Rep] 2024 Oct 18; Vol. 14 (1), pp. 24504. Date of Electronic Publication: 2024 Oct 18.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

تفاصيل العنوان

×
Academic Journal

A Multi-Spectroscopic and Molecular Docking Analysis of the Biophysical Interaction between Food Polyphenols, Urolithins, and Human Serum Albumin.

  • Authors : Zelenović N; Institute of Chemistry, Technology, and Metallurgy, National Institute of the Republic of Serbia, University of Belgrade, Njegoševa 12, 11000 Belgrade, Serbia.; Ristić P

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

  • Source: Molecules (Basel, Switzerland) [Molecules] 2024 Sep 20; Vol. 29 (18). Date of Electronic Publication: 2024 Sep 20.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

تفاصيل العنوان

×
Academic Journal

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

  • 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

تفاصيل العنوان

×
Academic Journal

Binding studies of promethazine and its metabolites with human serum albumin by high-performance affinity chromatography and molecular docking in the presence of codeine.

  • Authors : Coelho MM; Laboratory of Organic and Pharmaceutical Chemistry, Department of Chemical Sciences, Faculty of Pharmacy of the University of Porto, 4050-313, Porto, Portugal.; CIIMAR-Interdisciplinary Center for Marine and Environmental Research University of Porto, Porto de Leixões Cruise Terminal, 4450-208, Matosinhos, Portugal.

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

  • Source: Analytical and bioanalytical chemistry [Anal Bioanal Chem] 2024 Aug; Vol. 416 (20), pp. 4605-4618. Date of Electronic Publication: 2024 Jul 04.Publisher: Springer-Verlag Country of Publication: Germany NLM ID: 101134327 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

تفاصيل العنوان

×
Academic Journal

Molecular Insights into Structural Dynamics and Binding Interactions of Selected Inhibitors Targeting SARS-CoV-2 Main Protease.

  • Authors : Wang Y; Department of Biosciences and Bioinformatics, School of Science, Xi'an Jiaotong-Liverpool University, 111 Ren'ai Road, Suzhou 215123, China.; Zhou Y

Subjects: Molecular Docking Simulation* ; Molecular Dynamics Simulation* ; SARS-CoV-2*/SARS-CoV-2*/SARS-CoV-2*/drug effects

  • Source: International journal of molecular sciences [Int J Mol Sci] 2024 Dec 16; Vol. 25 (24). Date of Electronic Publication: 2024 Dec 16.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

تفاصيل العنوان

×
Academic Journal

Molecular dynamics-based computational investigations on the influence of tumor suppressor p53 binding protein against other proteins/peptides.

  • Authors : Abdalla M; Pediatric Research Institute, Children's Hospital Affiliated to Shandong University, Jinan, China. .; Abdelkhalig SM

Subjects: Tumor Suppressor Protein p53*/Tumor Suppressor Protein p53*/Tumor Suppressor Protein p53*/metabolism ; Tumor Suppressor Protein p53*/Tumor Suppressor Protein p53*/Tumor Suppressor Protein p53*/chemistry ; Molecular Dynamics Simulation*

  • Source: Scientific reports [Sci Rep] 2024 Dec 02; Vol. 14 (1), pp. 29871. Date of Electronic Publication: 2024 Dec 02.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

تفاصيل العنوان

×
Academic Journal

Multi-Spectroscopic and Molecular Modeling Studies of Interactions Between Anionic Porphyrin and Human Serum Albumin.

  • Authors : Strózik T; Department of Molecular Biology, Medical University of Lodz, Zeligowskiego 7/9 St., 90-752 Lodz, Poland.; Wolszczak M

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

  • Source: International journal of molecular sciences [Int J Mol Sci] 2024 Nov 20; Vol. 25 (22). Date of Electronic Publication: 2024 Nov 20.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

تفاصيل العنوان

×
Academic Journal

The Interaction Mechanism Between C14-Polyacetylene Compounds and the Rat TRPA1 Receptor: An In Silico Study.

  • Authors : Yu H; College of Science, Beihua University, Jilin 132013, China.; Gao D

Subjects: TRPA1 Cation Channel*/TRPA1 Cation Channel*/TRPA1 Cation Channel*/metabolism ; TRPA1 Cation Channel*/TRPA1 Cation Channel*/TRPA1 Cation Channel*/chemistry ; Molecular Docking Simulation*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2024 Oct 20; Vol. 25 (20). Date of Electronic Publication: 2024 Oct 20.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

تفاصيل العنوان

×
Academic Journal

Structure-based discovery of a new type of scaffold compound as binding competitors for protein-bound Uremic Toxins.

  • Authors : Wang P; Institute of Medical Artificial Intelligence, Binzhou Medical University, Yantai, 264003, P.R., China.; The Pharmacy School of Binzhou Medical University, Yantai, 264003, P.R., China.

Subjects: Molecular Docking Simulation* ; Protein Binding* ; Uremic Toxins*/Uremic Toxins*/Uremic Toxins*/metabolism

  • Source: Scientific reports [Sci Rep] 2024 Nov 15; Vol. 14 (1), pp. 28152. Date of Electronic Publication: 2024 Nov 15.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

تفاصيل العنوان

×
  • 1-10 ل  6,921 نتائج ل ""Molecular docking""