Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 107, Issue 12, Pages 5411-5416Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.0913377107
Keywords
nonsteroidal anti-inflammatory drugs; COX selectivity; coxibs; path collective variables; metadynamics
Categories
Funding
- Swiss National Supercomputing Centre-CSCS [s233]