Structural and dynamical properties of different protonated states of mutant HIV-1 protease complexed with the saquinavir inhibitor studied by molecular dynamics simulations

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...

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書目詳細資料
Main Authors:	Ornjira Aruksakunwong, Kitiyaporn Wittayanarakul, Pornthep Sompornpisut, Vannajan Sanghiran, Vudthichai Parasuk, Supot Hannongbua
格式:	雜誌
出版:	2018
主題:	Chemistry Computer Science Materials Science
在線閱讀:	https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=33750990766&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/61568
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