التفاصيل البيبلوغرافية
| العنوان: |
Visualization of MD simulation trajectory plots of EGFR tyrosine kinase domain in unbound, lead metabolite (Aspochalasin M) bound and standard inhibitor (Erlotinib) bound complex during 100 ns MD simulation period. |
| المؤلفون: |
H.G. Gowtham, Prasanna D. Revanasiddappa, Mahadevamurthy Murali, Sudarshana Brijesh Singh, M.R. Abhilash, Sushma Pradeep, Chandan Shivamallu, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Natalia Manturova, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Shiva Prasad Kollur |
| سنة النشر: |
2024 |
| مصطلحات موضوعية: |
Biochemistry, Cell Biology, Biotechnology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, present study explores, higher gastrointestinal absorption, favourable logbb value, egg model predicted, div >< p, central nervous system, active binding site, >., herg toxicity, 100 ns revealed, threshold docking score, possessed significant efficacy, computational studies concluded, binding egfr ’, 200 metabolites screened, known standard inhibitor, stable complex formation, active sites compared, standard egfr inhibitor, molecular docking confirmed, md simulation analysis, standard inhibitor, stable complex |
| الوصف: |
A: RMSD; B: RMSF; C: SASA; D: Rg and E: Hydrogen bond formation. Green: unbound EGFR tyrosine kinase domain, orange: EGFR tyrosine kinase domain-Aspochalasin M complex and purple: EGFR tyrosine kinase domain-Erlotinib complex. |
| نوع الوثيقة: |
still image |
| اللغة: |
unknown |
| Relation: |
https://figshare.com/articles/figure/Visualization_of_MD_simulation_trajectory_plots_of_EGFR_tyrosine_kinase_domain_in_unbound_lead_metabolite_Aspochalasin_M_bound_and_standard_inhibitor_Erlotinib_bound_complex_during_100_ns_MD_simulation_period_/25056810 |
| DOI: |
10.1371/journal.pone.0296010.g006 |
| الاتاحة: |
https://doi.org/10.1371/journal.pone.0296010.g006
https://figshare.com/articles/figure/Visualization_of_MD_simulation_trajectory_plots_of_EGFR_tyrosine_kinase_domain_in_unbound_lead_metabolite_Aspochalasin_M_bound_and_standard_inhibitor_Erlotinib_bound_complex_during_100_ns_MD_simulation_period_/25056810 |
| Rights: |
CC BY 4.0 |
| رقم الانضمام: |
edsbas.207E3E15 |
| قاعدة البيانات: |
BASE |