… of proteins and peptides related to neurodegeneration, protein… solvent accessible surface
area (SASA) nonpolar solvation … -KH molecular solvation theory deals with liquid state. Thus, a …

… ϕ P&L (R)is the solvation free energy density fields around the free protein (P) and ligand (L…
MIE derivation also may be more transparent to researchers not versed in liquid state theory, …

… in the existing literature, available experimental solvation free energy of … solvation theory is
used in this study for liquid state simulation… The distribution function and its first derivative are …

… The liquid state properties are important in their own right, … : eg, protein shape and behavior,
protein–ligand complexes and … The scripts, tools, and data used in this work are available …

… proteins and bioinformatics analyses of newly available … of the molecule in its liquid state.
This fitting process is commonly … By correctly incorporating the bias potential, we can derive the …

… the previous subsection about the origin and need to design … are often faster than the timescale
accessible by NMR, water-… experimentally derived values of liquid state properties (such …

… entropies for the Mobley test set, which are available as … , for example, drug-protein binding
and protein structure-function … Other recent studies with liquid-state theories have shown …

… stability of protein structures, in the protein folding process, … , as usual in the liquid state
theories, is known analytically as … reference simulation results are available: (1) The solvation of a …

… very scarce and not available for protein solutions to date. … in combination with a liquid-state
theoretical approach.42, 76, … be a consequence of peculiar solvation effects similar to those …

… hard sphere diameter while neglecting liquid state inter-molecular … Expansion of the
available protein folding thermodynamic … In summary, we have examined the origin of solvation …