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  Hydrophobic & hydrophilic: Theoretical models of solvation for molecular biophysics

Pratt, L. R., Tawa, G. J., Hummer, G., Garcia, A. E., & Corcelli, S. A. (1996). Hydrophobic & hydrophilic: Theoretical models of solvation for molecular biophysics. In 2. International Congress on Theoretical Chemical Physics, New Orleans, LA (United States), 9-13 Mar 1996.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0009-1201-1 Version Permalink: https://hdl.handle.net/21.11116/0000-0009-1202-0
Genre: Conference Paper

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Pratt, L. R.1, Author
Tawa, G. J.1, Author
Hummer, G.1, Author           
Garcia, A. E.1, Author
Corcelli, S. A.1, Author
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1Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico, USA, ou_persistent22              

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 Abstract: Molecular statistical thermodynamic models of hydration for chemistry and biophysics have advanced abruptly in recent years. With liquid water as solvent, salvation phenomena are classified as either hydrophobic or hydrophilic effects. Recent progress in treatment of hydrophilic effects have been motivated by continuum dielectric models interpreted as a modelistic implementation of second order perturbation theory. New results testing that perturbation theory of hydrophilic effects are presented and discussed. Recent progress in treatment of hydrophobic effects has been achieved by applying information theory to discover models of packing effects in dense liquids. The simplest models to which those ideas lead are presented and discussed.

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Language(s): eng - English
 Dates: 1996-12-31
 Publication Status: Issued
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 Rev. Type: Peer
 Identifiers: BibTex Citekey: pratt_hydrophobic_1996
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Title: 2. International Congress on Theoretical Chemical Physics, New Orleans, LA (United States), 9-13 Mar 1996
Source Genre: Proceedings
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