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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. 3. Calculation and Parameterization of the Potentials of Mean Force of Pairs of Identical Hydrophobic Side Chains

✍ Scribed by Makowski, Mariusz; Sobolewski, Emil; Czaplewski, Cezary; Liwo, Adam; Ołdziej, Stanisław; No, Joo Hwan; Scheraga, Harold A.

Book ID
126012938
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
165 KB
Volume
111
Category
Article
ISSN
0022-3654

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Theoretical calculations of homoconjugat
Theoretical calculations of homoconjugation equilibrium constants in systems modeling acid–base interactions in side chains of biomolecules using the potential of mean force
✍ Joanna Makowska; Mariusz Makowski; Adam Liwo; Lech Chmurzyński 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 297 KB

## Abstract The potentials of mean force (PMFs) were determined for systems forming cationic and anionic homocomplexes composed of acetic acid, phenol, isopropylamine, __n__‐butylamine, imidazole, and 4(5)‐methylimidazole, and their conjugated bases or acids, respectively, in three solvents with di