Peptide salt bridge stability: From gas phase via microhydration to bulk water simulations

Journal of Chemical Physics

Volumn 137, Issue 18, 2012, Pages

  Pluhaová, Eva ^a   Marsalek, Ondrej ^a   Schmidt, Burkhard ^b   Jungwirth, Pavel ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BORN-OPPENHEIMER MOLECULAR DYNAMICS; CLASSICAL MOLECULAR DYNAMICS; GLUTAMATE SIDE CHAIN; LYSINE SIDE CHAINS; MICRO-HYDRATION; NEUTRAL STATE; WATER MOLECULE; ZWITTERIONIC SALTS;

AMINO ACIDS; HYDRATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; PEPTIDES; PROTON TRANSFER;

MOLECULES;

DIPEPTIDE; INORGANIC SALT; WATER;

ARTICLE; CHEMISTRY; GAS; MOLECULAR DYNAMICS; PROTEIN STABILITY;

DIPEPTIDES; GASES; MOLECULAR DYNAMICS SIMULATION; PROTEIN STABILITY; SALTS; WATER;

EID: 84876463177     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4765052     Document Type: Article

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