Structural and dynamical properties of different protonated states of mutant HIV-1 protease complexed with the saquinavir inhibitor studied by molecular dynamics simulations
To understand the basis of drug resistance, particularly of the HIV-1 PR, three molecular dynamics (MD) simulations of HIV-1 PR mutant species, G48V, complexed with saquinavir (SQV) in explicit aqueous solution with three protonation states, diprotonation on Asp25 and Asp25′ (Di-pro) and monoprotona...
محفوظ في:
المؤلفون الرئيسيون: | Ornjira Aruksakunwong, Kitiyaporn Wittayanarakul, Pornthep Sompornpisut, Vannajan Sanghiran, Vudthichai Parasuk, Supot Hannongbua |
---|---|
التنسيق: | دورية |
منشور في: |
2018
|
الموضوعات: | |
الوصول للمادة أونلاين: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=33750990766&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/61568 |
الوسوم: |
إضافة وسم
لا توجد وسوم, كن أول من يضع وسما على هذه التسجيلة!
|
المؤسسة: | Chiang Mai University |
مواد مشابهة
-
Structural and dynamical properties of different protonated states of mutant HIV-1 protease complexed with the saquinavir inhibitor studied by molecular dynamics simulations
بواسطة: Aruksakunwong O., وآخرون
منشور في: (2014) -
Structure, dynamics and solvation of HIV-1 protease/saquinavir complex in aqueous solution and their contributions to drug resistance: Molecular dynamic simulations
بواسطة: Kitiyaporn Wittayanarakul, وآخرون
منشور في: (2018) -
Insights into saquinavir resistance in the G48V HIV-1 protease: Quantum calculations and molecular dynamic simulations
بواسطة: Kitiyaporn Wittayanarakul, وآخرون
منشور في: (2018) -
Current development on HIV-1 protease inhibitors
بواسطة: Ornjira Arusksakunwong, وآخرون
منشور في: (2018) -
Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations
بواسطة: Vannajan S. Lee, وآخرون
منشور في: (2018)