Efficient calculation of two-dimensional adiabatic and free energy maps: Application to the isomerization of the C13-C14 and C15=N16 bonds in the retinal of bacteriorhodopsin

Journal of Computational Chemistry

Volumn 20, Issue 15, 1999, Pages 1644-1658

  Crouzy, Serge ^a   Baudry, Jerôme ^b,e   Smith, Jeremy C ^c   Roux, Benoît ^d  

^a CEA GRENOBLE   (France)

^b CEA SACLAY   (France)

^c UNIVERSITY OF HEIDELBERG   (Germany)

^d UNIVERSITÉ DE MONTRÉAL   (Canada)

^e UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Bacteriorhodopsin; Dihedral angle isomerization; Energy map; Energy minimization; Free energy

Indexed keywords

EID: 0000202448     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19991130)20:15<1644::AID-JCC5>3.0.CO;2-Y     Document Type: Article

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