Semiempirical QM/MM potential with simple valence bond (SVB) for enzyme reactions. Application to the nucleophilic addition reaction in haloalkane dehalogenase

Lakshmi S. Devi-Kesavan, M. Garcia-Viloca, Jiali Gao

Research output: Contribution to journal › Article › peer-review

33 Scopus citations

Fingerprint

Dive into the research topics of 'Semiempirical QM/MM potential with simple valence bond (SVB) for enzyme reactions. Application to the nucleophilic addition reaction in haloalkane dehalogenase'. Together they form a unique fingerprint.

Chemical Compounds

Physics & Astronomy