𝔖 Bobbio Scriptorium
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New method for fast and easy computation of radiative accelerations in stars

✍ Scribed by F. LeBlanc; G. Alecian

Book ID
110837874
Publisher
John Wiley and Sons
Year
2004
Tongue
English
Weight
160 KB
Volume
352
Category
Article
ISSN
0035-8711

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New and fast statistical-thermodynamic m
New and fast statistical-thermodynamic method for computation of protein-ligand binding entropy substantially improves docking accuracy
✍ A. M. Ruvinsky; A. V. Kozintsev πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 101 KB πŸ‘ 1 views

## Abstract We present a novel method to estimate the contributions of translational and rotational entropy to protein‐ligand binding affinity. The method is based on estimates of the configurational integral through the sizes of clusters obtained from multiple docking positions. Cluster sizes are