scholarly journals Can the roles of polar and non-polar moieties be reversed in non-polar solvents?

2020 ◽  
Vol 22 (44) ◽  
pp. 25848-25858 ◽  
Author(s):  
Cedrix J. Dongmo Foumthuim ◽  
Manuel Carrer ◽  
Maurine Houvet ◽  
Tatjana Škrbić ◽  
Giuseppe Graziano ◽  
...  
Keyword(s):  
Free Energy ◽  
Amino Acid ◽  
Solvation Free Energy ◽  
Thermodynamic Integration ◽  
Side Chain ◽  
Amino Acid Side Chain ◽  
Polar Solvents ◽  
Polar Water

Using thermodynamic integration, we study the solvation free energy of 18 amino acid side chain equivalents in solvents with different polarities, ranging from the most polar water to the most non-polar cyclohexane.

Free energy profiles of amino acid side chain analogs near water-vapor interface obtained via MD simulations

2010 ◽  
Vol 31 (1) ◽  
pp. 204-216 ◽  
Author(s):  
Alexey K. Shaytan ◽  
Victor A. Ivanov ◽  
Konstantin V. Shaitan ◽  
Alexei R. Khokhlov
Keyword(s):  
Free Energy ◽  
Water Vapor ◽  
Amino Acid ◽  
Md Simulations ◽  
Side Chain ◽  
Amino Acid Side Chain ◽  
Vapor Interface ◽  
Energy Profiles ◽  
Free Energy Profiles

Amino acid side-chain populations in aqueous and saline solution: Bis-penicillamine enkephalin

Biopolymers ◽  
1992 ◽  
Vol 32 (12) ◽  
pp. 1623-1629 ◽  
Author(s):  
Paul E. Smith ◽  
B. Montgomery Pettitt
Keyword(s):  
Amino Acid ◽  
Saline Solution ◽  
Side Chain ◽  
Amino Acid Side Chain
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