PLIP 2021: expanding the scope of the protein–ligand interaction profiler to DNA and RNA
Melissa F Adasme, Katja L Linnemann, Sarah Naomi Bolz et al. · 2021
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Description
Melissa Adasme and co-authors reported in 2021 an expanded version of PLIP, a tool that profiles the interactions between a small molecule and its target. As protein structure data pile up, understanding exactly how a drug-like molecule grips its target grows more important for design. PLIP automatically detects those contacts and draws them in clear visualizations.
The 2021 update widened the profiler beyond proteins, so it can also analyze molecules binding to DNA and RNA. The authors describe the new scope and the formats the tool produces for further work. Interaction profiles help medicinal chemists see which contacts hold a drug in place, and which changes might make it grip harder.
Catalog record
| CREATOR | Melissa F Adasme, Katja L Linnemann, Sarah Naomi Bolz et al. |
|---|---|
| YEAR | 2021 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 22 KB |
| LICENSE | Creative Commons Attribution License |
| RIGHTS | CC BY |
| SOURCE | PubMed Central |