Comparison of enzyme polarization of ligands and charge‐transfer effects for dihydrofolate reductase using point‐charge embedded ab initio quantum mechanical and linear‐scaling semiempirical quantum mechanical methods期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Comparison of enzyme polarization of ligands and charge‐transfer effects for dihydrofolate reductase using point‐charge embedded ab initio quantum mechanical and linear‐scaling semiempirical quantum mechanical methods

Authors:	Stephen P. Greatbanks Jill E. Gready Ajay C. Limaye Alistair P. Rendell

Abstract:

Keywords:	enzyme mechanism substrate polarization dihydrofolate reductase NADPH electron density differences linear‐scaling quantum mechanics (QM)