期刊
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
卷 107, 期 12, 页码 5411-5416出版社
NATL ACAD SCIENCES
DOI: 10.1073/pnas.0913377107
关键词
nonsteroidal anti-inflammatory drugs; COX selectivity; coxibs; path collective variables; metadynamics
资金
- Swiss National Supercomputing Centre-CSCS [s233]