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Conformational Contribution to Thermodynamics of Binding in Protein Complexes Through Microscopic Simulations

✍ Scribed by Chakrabarti, Jaydeb; Das, Amit; Ghosh, Mahua

Book ID
122487586
Publisher
Biophysical Society
Year
2014
Tongue
English
Weight
34 KB
Volume
106
Category
Article
ISSN
0006-3495

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Cover Picture: Contribution of Ligand De
Cover Picture: Contribution of Ligand Desolvation to Binding Thermodynamics in a Ligand–Protein Interaction (Angew. Chem. Int. Ed. 38/2006)
✍ Natalia Shimokhina; Agnieszka Bronowska; Steve W. Homans 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 142 KB 👁 2 views

**Ligand–protein interactions** are associated with the desolvation of a ligand as it enters the protein‐binding pocket (see cover picture). Homans and co‐workers describe in their Communication on page 6374 ff. an estimate of the thermodynamic cost associated with this desolvation process. These da