On the use of enveloping distribution sampling (EDS) to compute free enthalpy differences between different conformational states of molecules: Application to 310-, α-, and π-helices

Journal of Chemical Theory and Computation

Volumn 7, Issue 12, 2011, Pages 3884-3897

  Lin, Zhixiong ^a,b   Liu, Haiyan ^b   Riniker, Sereina ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 83455224963     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct200623b     Document Type: Article

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