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Free energy perturbation-derived identification of natural compounds targeting Mycobacterium tuberculosis thymidylate

Rupesh V Chikhale1, Md Ataul Islam2,3, Vikramsinh Sardarsinh Suryawanshi2,3

  • 1Department of Pharmaceutical and Biological Chemistry, School of Pharmacy, University College London, Brunswick Square, London, UK. R.Chikhale@ucl.ac.uk.

Scientific Reports
|May 26, 2026
PubMed
Abstract

No abstract available in PubMed .

Keywords:
Mycobacterium tuberculosisFree Energy PerturbationMolecular dockingMolecular dynamics simulationThymidylate kinaseVirtual screening

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