Quantitative Predictions of Binding Free Energy Changes in Drug-Resistant Influenza Neuraminidase

Daniel R. Ripoll; Ilja V. Khavrutskii; Sidhartha Chaudhury; Jin Liu; Robert A. Kuschner; Anders Wallqvist; Jaques Reifman

doi:10.1371/journal.pcbi.1002665

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Open Access

Peer-reviewed

Research Article

Quantitative Predictions of Binding Free Energy Changes in Drug-Resistant Influenza Neuraminidase

Daniel R. Ripoll,

Affiliation Department of Defense Biotechnology High Performance Computing Software Applications Institute, Telemedicine and Advanced Technology Research Center, US Army Medical Research and Materiel Command, Fort Detrick, Frederick, Maryland, United States of America
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Ilja V. Khavrutskii,

Affiliation Department of Defense Biotechnology High Performance Computing Software Applications Institute, Telemedicine and Advanced Technology Research Center, US Army Medical Research and Materiel Command, Fort Detrick, Frederick, Maryland, United States of America
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Sidhartha Chaudhury,

Affiliation Department of Defense Biotechnology High Performance Computing Software Applications Institute, Telemedicine and Advanced Technology Research Center, US Army Medical Research and Materiel Command, Fort Detrick, Frederick, Maryland, United States of America
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Jin Liu,

Affiliation Department of Defense Biotechnology High Performance Computing Software Applications Institute, Telemedicine and Advanced Technology Research Center, US Army Medical Research and Materiel Command, Fort Detrick, Frederick, Maryland, United States of America
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Robert A. Kuschner,

Affiliation Walter Reed Army Institute of Research, Emerging Infectious Diseases Research Unit, Silver Spring, Maryland, United States of America
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Anders Wallqvist,

Affiliation Department of Defense Biotechnology High Performance Computing Software Applications Institute, Telemedicine and Advanced Technology Research Center, US Army Medical Research and Materiel Command, Fort Detrick, Frederick, Maryland, United States of America
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Jaques Reifman

* E-mail: jaques.reifman@us.army.mil

Affiliation Department of Defense Biotechnology High Performance Computing Software Applications Institute, Telemedicine and Advanced Technology Research Center, US Army Medical Research and Materiel Command, Fort Detrick, Frederick, Maryland, United States of America
⨯

Quantitative Predictions of Binding Free Energy Changes in Drug-Resistant Influenza Neuraminidase

Daniel R. Ripoll,
Ilja V. Khavrutskii,
Sidhartha Chaudhury,
Jin Liu,
Robert A. Kuschner,
Anders Wallqvist,
Jaques Reifman

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Published: August 30, 2012
https://doi.org/10.1371/journal.pcbi.1002665

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