Structure, dynamics and solvation of HIV-1 protease/saquinavir complex in aqueous solution and their contributions to drug resistance: Molecular dynamic simulations

Structure, dynamics and solvation of HIV-1 protease/saquinavir complex in aqueous solution and their contributions to drug resistance: Molecular dynamic simulations

As it is known that the understanding of the basic properties of the enzyme/inhibitor complex leads directly to enhancing the capability in drug designing and drug discovery. Molecular dynamics simulations have been performed to examine detailed information on the structure and dynamical properties...

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Bibliographic Details
Main Authors: Kitiyaporn Wittayanarakul, Ornjira Aruksakunwong, Pornthep Sompornpisut, Vannajan Sanghiran-Lee, Vudhichai Parasuk, Surapong Pinitglang, Supot Hannongbua
Format: Journal
Published: 2018
Subjects:
Chemical Engineering
Chemistry
Computer Science
Social Sciences
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=18344369573&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/62132
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Institution: Chiang Mai University

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http://cmuir.cmu.ac.th/jspui/handle/6653943832/62132

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