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Guiding protein-ligand docking with different experimental NMR-data

✍ Scribed by Tim ten Brink; Ionut Onila; Adam Mazur; Oliver Korb; Heiko M Möller; Christian Griesinger; Teresa Carlomagno; Thomas E Exner


Book ID
115027636
Publisher
BioMed Central
Year
2012
Tongue
English
Weight
71 KB
Volume
4
Category
Article
ISSN
1758-2946

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BLEEP?potential of mean force describing
✍ Mitchell, John B. O.; Laskowski, Roman A.; Alex, Alexander; Forster, Mark J.; Th 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 277 KB 👁 2 views

We have developed BLEEP biomolecular ligand energy evaluation . Ž . protocol , an atomic level potential of mean force PMF describing protein᎐ligand interactions. Here, we present four tests designed to assess different attributes of BLEEP. Calculating the energy of a small hydrogen-bonded complex