Relative stability of homochiral and heterochiral dialanine peptides. Effects of perturbation pathways and force-field parameters on free energy calculations

Author: Zhou Yu   Oostenbrink Chris   Van Gunsteren Wilfred F.   Hagen Wilfred R.   De Leeuw Simon W.   Jongejan Jaap A.  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.103, Iss.14, 2005-07, pp. : 1961-1969

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Abstract