Structural stability of diclofenac vs. inhibition activity from ab initio molecular dynamics simulations. Comparative study with ibuprofen and ketoprofen

标题
Structural stability of diclofenac vs. inhibition activity from ab initio molecular dynamics simulations. Comparative study with ibuprofen and ketoprofen
作者
关键词
Diclofenac, Molecular structure, Density functional theory, Intramolecular hydrogen bond, Molecular dynamics simulation
出版物
STRUCTURAL CHEMISTRY
Volume 28, Issue 4, Pages 999-1008
出版商
Springer Nature
发表日期
2017-01-03
DOI
10.1007/s11224-016-0893-8

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