TY - JOUR
T1 - A study of model energetics and conformational properties of polynucleotide triplexes
AU - Van Vlijmen, Herman W.Th
AU - Rameé, Graciela L.
AU - Pettitt, B. Montgomery
PY - 1990
Y1 - 1990
N2 - The formation of triple‐stranded nucleic acid helices is studied by molecular mechanics and molecular dynamics calculations. Using standard TAT and CGG homopolymers, single, triple, and quintuple molecular replacements are made. Some of these replacements are expected to form Hoogsteen bonds and some are not. While the electrostatic and total energetic differences for base triplet mismatches were dependent on the electrostatic model chosen, clear trends in the local geometric distortions were apparent. Relationships between these model‐built strand geometries and chemical probe experiments are discussed.
AB - The formation of triple‐stranded nucleic acid helices is studied by molecular mechanics and molecular dynamics calculations. Using standard TAT and CGG homopolymers, single, triple, and quintuple molecular replacements are made. Some of these replacements are expected to form Hoogsteen bonds and some are not. While the electrostatic and total energetic differences for base triplet mismatches were dependent on the electrostatic model chosen, clear trends in the local geometric distortions were apparent. Relationships between these model‐built strand geometries and chemical probe experiments are discussed.
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U2 - 10.1002/bip.360300505
DO - 10.1002/bip.360300505
M3 - Article
C2 - 2265226
AN - SCOPUS:0025114842
SN - 0006-3525
VL - 30
SP - 517
EP - 532
JO - Biopolymers
JF - Biopolymers
IS - 5-6
ER -