Inhibitor Ranking through QM Based Chelation Calculations for Virtual Screening of HIV-1 RNase H Inhibition

Open Access

Peer-reviewed

Research Article

Vasanthanathan Poongavanam ,

* E-mail: nathan@sdu.dk

Affiliation Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Odense M, Denmark
⨯
Casper Steinmann,

Affiliation Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Odense M, Denmark
⨯
Jacob Kongsted

Affiliation Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Odense M, Denmark
⨯

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Chelation
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Magnesium
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Free energy
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HIV-1
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Ribonucleases
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RNase inhibitors
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Enzyme inhibitors
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Protein interactions
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