Density functional theory study of the conformational space of an infinitely long polypeptide chain

2009 ◽  
Vol 131 (8) ◽  
pp. 085104 ◽  
Author(s):  
Joel Ireta ◽  
Matthias Scheffler
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Polypeptide Chain ◽  
Conformational Space ◽  
Density Functional Theory Study ◽  
Functional Theory

Exploration of the Full Conformational Space ofN-Acetyl-l-glutamine-N-methylamide. An ab Initio and Density Functional Theory Study

2003 ◽  
Vol 107 (25) ◽  
pp. 5079-5091 ◽  
Author(s):  
Marco W. Klipfel ◽  
Miguel A. Zamora ◽  
Ana M. Rodriguez ◽  
Noemí G. Fidanza ◽  
Ricardo D. Enriz ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Density Functional ◽  
Conformational Space ◽  
Density Functional Theory Study ◽  
Functional Theory
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