Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations

Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations

Molecular dynamics (MD) simulations of the HIV-1 protease (HIVP) complexed with lead fullerene-based inhibitor (diphenyl C60alcohol) in the three protonated states, unprotonated (Un-), monoprotonated (Mono-), and diprotonated (Di-) states at Asp25 and Asp25′ were performed. As the X-ray structure of...

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Bibliographic Details
Main Authors: Vannajan S. Lee, Piyarat Nimmanpipug, Ornjira Aruksakunwong, Siriporn Promsri, Pornthep Sompornpisut, Supot Hannongbua
Format: Journal
Published: 2018
Subjects:
Chemistry
Computer Science
Materials Science
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=34548256207&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/60955
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Institution: Chiang Mai University

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https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=34548256207&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/60955

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