Molecular thermodynamics of trifluoroethanol-induced helix formation: Analysis of the solvation structure and free energy by the 3D-RISM theory

Interdisciplinary Sciences – Computational Life Sciences

Volumn 1, Issue 2, 2009, Pages 156-160

  Imai, Takashi ^a   Kovalenko, Andriy ^b   Hirata, Fumio ^c   Kidera, Akinori ^a,d  

^a RIKEN   (Japan)

^b UNIVERSITY OF ALBERTA   (Canada)

^c INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^d YOKOHAMA CITY UNIVERSITY   (Japan)

Author keywords

3D RISM; helix; preferential solvation; solvation free energy; trifluoroethanol

Indexed keywords

ALCOHOL; METHANOL; PEPTIDE; SOLVENT; TRIFLUOROETHANOL;

ALGORITHM; ARTICLE; BIOPHYSICS; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ENTROPY; HYDROGEN BOND; METHODOLOGY; THEORETICAL MODEL; THERMODYNAMICS;

ALGORITHMS; BIOPHYSICS; COMPUTER SIMULATION; ENTROPY; ETHANOL; HYDROGEN BONDING; METHANOL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; PEPTIDES; SOLVENTS; THERMODYNAMICS; TRIFLUOROETHANOL;

EID: 69349086365     PISSN: 19132751     EISSN: 18671462     Source Type: Journal    
DOI: 10.1007/s12539-009-0037-6     Document Type: Article

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