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Items: 1 to 20 of 92

1.

Density functional theory for protein transfer free energy.

Mills EA, Plotkin SS.

J Phys Chem B. 2013 Oct 24;117(42):13278-90. doi: 10.1021/jp403600q. Epub 2013 Aug 14.

PMID:
23944753
3.

The role of the concentration scale in the definition of transfer free energies.

Moeser B, Horinek D.

Biophys Chem. 2015 Jan;196:68-76. doi: 10.1016/j.bpc.2014.09.005. Epub 2014 Oct 5.

PMID:
25451680
4.

An effective solvent theory connecting the underlying mechanisms of osmolytes and denaturants for protein stability.

Linhananta A, Hadizadeh S, Plotkin SS.

Biophys J. 2011 Jan 19;100(2):459-68. doi: 10.1016/j.bpj.2010.11.087.

5.
6.

Comparison of implicit solvent models for the simulation of protein-surface interactions.

Sun Y, Latour RA.

J Comput Chem. 2006 Dec;27(16):1908-22.

PMID:
17019723
7.

Backbone additivity in the transfer model of protein solvation.

Hu CY, Kokubo H, Lynch GC, Bolen DW, Pettitt BM.

Protein Sci. 2010 May;19(5):1011-22. doi: 10.1002/pro.378.

10.

Density functional theory of solvation and its relation to implicit solvent models.

Ramirez R, Borgis D.

J Phys Chem B. 2005 Apr 14;109(14):6754-63.

PMID:
16851760
11.

GSSI, a general model for solute-solvent interactions. 1. Description of the model.

Deanda F, Smith KM, Liu J, Pearlman RS.

Mol Pharm. 2004 Jan 12;1(1):23-39.

PMID:
15832498
12.
13.

The nature of the free energy barriers to two-state folding.

Akmal A, Muñoz V.

Proteins. 2004 Oct 1;57(1):142-52.

PMID:
15326600
14.

Spatial decomposition of solvation free energy based on the 3D integral equation theory of molecular liquid: application to miniproteins.

Yamazaki T, Kovalenko A.

J Phys Chem B. 2011 Jan 20;115(2):310-8. doi: 10.1021/jp1082938. Epub 2010 Dec 17.

PMID:
21166382
15.
16.

Structure and energetics of the hydrogen-bonded backbone in protein folding.

Bolen DW, Rose GD.

Annu Rev Biochem. 2008;77:339-62. doi: 10.1146/annurev.biochem.77.061306.131357. Review.

PMID:
18518824
17.

Environmental swap energy and role of configurational entropy in transfer of small molecules from water into alkanes.

Smejtek P, Word RC.

J Chem Phys. 2004 Jan 15;120(3):1383-94. Erratum in: J Chem Phys. 2005 Jun 8;122(22):229902.

PMID:
15268264
18.

Calculations of pH-dependent binding of proteins to biological membranes.

Mihajlovic M, Lazaridis T.

J Phys Chem B. 2006 Feb 23;110(7):3375-84.

PMID:
16494352
19.

Relating structure, entropy, and energy of solvation of nanoscale solutes: application to gold nanoparticle dispersions.

Nayar D, Yadav HO, Jabes BS, Chakravarty C.

J Phys Chem B. 2012 Nov 1;116(43):13124-32. doi: 10.1021/jp307615f. Epub 2012 Oct 22.

PMID:
22998098
20.

A theoretical analysis on hydration thermodynamics of proteins.

Imai T, Harano Y, Kinoshita M, Kovalenko A, Hirata F.

J Chem Phys. 2006 Jul 14;125(2):24911.

PMID:
16848615

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