Electrostatic Protein–Protein Interactions: Comparison of Point-Dipole and Finite-Length Dipole Potentials of Mean Force

BLEEP?potential of mean force describing

BLEEP?potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data

✍ 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