Title : Is the conformational flexibility of piperazine derivatives important to inhibit HIV-1 replication?

Pub. Date : 2013 Jul

PMID : 23748247






1 Functional Relationships(s)
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1 We described an approach that combines molecular docking, molecular dynamics, MM-PBSA calculations and conformational analysis to rationally predict piperazine derivatives binding mode with HIV-1 gp120. Piperazine Envelope surface glycoprotein gp160, precursor Human immunodeficiency virus 1