Computational development of rubromycin-based lead compounds for HIV-1 reverse transcriptase inhibition
The binding of several rubromycin-based ligands to HIV1-reverse transcriptase was analyzed using molecular docking and molecular dynamics simulations. MM-PBSA analysis and examination of the trajectories allowed the identification of several promising compounds with predicted high affinity towards r...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
PeerJ Inc.
2014-07-01
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| Series: | PeerJ |
| Subjects: | |
| Online Access: | https://peerj.com/articles/470.pdf |