Affiliation:
1. Department of Chemistry, University of Memphis, Memphis, TN 38152, USA
Abstract
Most QM-cluster models of enzymes are constructed based on X-ray crystal structures, which limits comparison to in vivo structure and mechanism. This work introduces an MD to QM-cluster model workflow.
Funder
National Science Foundation Graduate Research Fellowship Program
Basic Energy Sciences
Division of Biological Infrastructure
National Institute of General Medical Sciences
Publisher
Royal Society of Chemistry (RSC)
Cited by
2 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献