Identification and prioritization of potential therapeutic molecules against LpxA from Acinetobacter baumannii – A computational study

Identification and prioritization of potential therapeutic molecules against LpxA from Acinetobacter baumannii – A computational study

A. baumannii is a ubiquitously found gram-negative, multi-drug resistant bacterial species from the ESKAPE family of pathogens known to be the causative agent for hospital-acquired infections such as pneumonia, meningitis, endocarditis, septicaemia and urinary tract infections. A. baumannii is impli...

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Bibliographic Details
Main Authors: Rameez Jabeer Khan, Ekampreet Singh, Rajat Kumar Jha, Ankit Kumar, Saurabh Kumar Bhati, Mahrukh Parveez Zia, Monika Jain, Rashmi Prabha Singh, Jayaraman Muthukumaran, Amit Kumar Singh
Format: Article
Language:English
Published: Elsevier 2023-01-01
Series:Current Research in Structural Biology
Subjects:
LpxA
Molecular dynamics simulations
Global and essential dynamics
Free energy landscape
MM/PBSA
Online Access:http://www.sciencedirect.com/science/article/pii/S2665928X23000028

Internet

http://www.sciencedirect.com/science/article/pii/S2665928X23000028

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