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Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD).

Xin ZhangYuan ZhaoHonggao YanZexing CaoYirong Mo
Published in: J. Comput. Chem. (2016)
Keyphrases
  • molecular dynamics simulations
  • frequency domain
  • molecular dynamics
  • gene expression data
  • building blocks
  • high throughput
  • database
  • data mining
  • fourier transform