DNA and Estrogen Receptor Interaction Revealed by the Fragment Molecular Orbital Method -Implementation of SCF Convergence-
Watanabe T., Inadomi Y., Tanaka S., Nagashima U., National Institute of Advanced Industrial and Science and Technology, JP
The fragment molecular orbital (FMO) method was applied to evaluate the interaction between estrogen response element (ERE) in DNA and DNA binding domain (DBD) of estrogen receptor (ER). In order to calculate the whole electronic [...]