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

Document Details

Document Type
Pub Defense Publication
Publication Date
Oct 28, 2016
Source ID
10.1021/acs.jpcb.6b07814

Entities

People

  • Heather J. Kulik
  • Jianyu Zhang
  • Judith P. Klinman
  • Todd Martinez

Organizations

  • Burroughs Wellcome Fund
  • National Institute of General Medical Sciences
  • Office of the Secretary of Defense
  • SLAC National Accelerator Laboratory
  • Stanford University