Comparative structural study of selective and non-selective NSAIDs against the enzyme cyclooxygenase-2 through real-time molecular dynamics linked to post-dynamics MM-GBSA and e-pharmacophores mapping

Autor:	Shabir Ahmad Ganai, Sundararaj Rajamanikandan, Basit Amin Shah, Asif Lone, Faieza Arwa, Firdose Ahmad Malik
Rok vydání:	2023
Předmět:	Inorganic Chemistry Computational Theory and Mathematics Organic Chemistry Physical and Theoretical Chemistry Catalysis Computer Science Applications
Zdroj:	Journal of Molecular Modeling. 29
ISSN:	0948-5023 1610-2940
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7acc4284ece1f8878b40a82b99709569 https://doi.org/10.1007/s00894-023-05603-7 Zobrazit plný text záznamu Full text from SpringerLink