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

Greatbanks, SGready, JillLimaye, AjayRendell, Alistair2015-12-132015-12-130192-8651http://hdl.handle.net/1885/89222Comparison 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 methods20002015-12-12