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General and targeted statistical potentials for protein–ligand interactions

✍ Scribed by Wijnand T. M. Mooij; Marcel L. Verdonk

Book ID
118285897
Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
562 KB
Volume
61
Category
Article
ISSN
0887-3585

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BLEEP?potential of mean force describing
BLEEP?potential of mean force describing protein-ligand interactions: I. Generating potential
✍ Mitchell, John B. O.; Laskowski, Roman A.; Alex, Alexander; Thornton, Janet M. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 239 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. The pair potentials for BLEEP have been derived from high-resolution X-ray structures of protein᎐ligand complexes in the Ž . Brookhaven