Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors

Autor:	Bharti Devi, Sumukh Satyanarayana Vasishta, Bhanuranjan Das, Anurag T. K. Baidya, Rahul Salmon Rampa, Manoj Kumar Mahapatra, Rajnish Kumar
Rok vydání:	2023
Předmět:	Inorganic Chemistry Organic Chemistry Drug Discovery General Medicine Physical and Theoretical Chemistry Molecular Biology Catalysis Information Systems
Zdroj:	Molecular Diversity.
ISSN:	1573-501X 1381-1991
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7086ac943a9190eeed6737a932cbcba2 https://doi.org/10.1007/s11030-023-10608-8 Zobrazit plný text záznamu Full text from SpringerLink