Procedure for selecting starting conformations for energy minimization of nucleosides and nucleotides.
The purpose of this study was to carry out a thorough search of the conformational space of various adenine-containing nucleotides, applying a previously published searching procedure, known as the representative method. This method, which reduces the number of starting conformations required to explore all the important regions of conformational space, appears to be successful in finding all (or nearly all) the putative low-energy conformations of each molecule.
Harris
Douglas G
DG
Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602-5700, USA.
Shao
Jianyin
J
Anderson
Jonathan M
JM
Marx
Douglas P
DP
Zimmerman
S Scott
SS
D000241:Adenosine / Q000031:analogs & derivatives / Q000737:chemistry; D008968:Molecular Conformation; D009705:Nucleosides / Q000737:chemistry*; D009711:Nucleotides / Q000737:chemistry*; D013816:Thermodynamics
D009705:Nucleosides; D009711:Nucleotides; D000241:Adenosine