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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Bibliographic Details
Main Authors: Ornjira Aruksakunwong, Kitiyaporn Wittayanarakul, Pornthep Sompornpisut, Vannajan Sanghiran, Vudthichai Parasuk, Supot Hannongbua
Format: Journal
Published: 2018
Subjects:
Chemistry
Computer Science
Materials Science
Online Access: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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Institution: Chiang Mai University

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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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