How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase

How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase

Bibliographic Details
Main Authors: Kulik, Heather J., Zhang, Jianyu, Klinman, Judith P., MartĂ­nez, Todd J.
Format: Online
Language:English
Published: American Chemical Society 2016
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5108028/

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5108028/

Similar Items