Free energy calculations of conformational equilibrium of chorismate in water. The role of solute polarization

Journal of Physical Chemistry A

Volumn 106, Issue 48, 2002, Pages 11822-11830

  Madurga, Sergio ^a   Vilaseca, Eudald ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CHORISMATE; CONFORMATIONAL EQUILIBRIUM; DISCHARGE PROCESS; FREE ENERGY PERTURBATION; POLARIZABLE CONTINUUM MODEL; POLARIZATION PROCESS; SOLUTE POLARIZATION; SOLVATION FREE ENERGY;

CALCULATIONS; COMPUTER SIMULATION; FREE ENERGY; HYDROGEN BONDS; MOLECULES; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PERTURBATION TECHNIQUES;

CONFORMATIONS;

EID: 0037028163     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026482d     Document Type: Article

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