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Computational identification of novel inhibitors targeting multiple proteins of tomato brown rugose fruit virus (ToBRFV) through alphafold-based protein modeling, molecular docking, mm/gbsa binding free energy analysis, and molecular dynamics simulation.

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Title:	Computational identification of novel inhibitors targeting multiple proteins of tomato brown rugose fruit virus (ToBRFV) through alphafold-based protein modeling, molecular docking, mm/gbsa binding free energy analysis, and molecular dynamics simulation.
Authors:	Vivekananthan, Nikeshun¹, Minipreman, Niranjana Prem^2,3, Marimuthu, Chinnakaruppan^2,3, Jeyaraj, Gnanaprakash⁴, Singh, Abhilasha^2,3, Bhuria, Swati^2,3, Kumar, Susheel^2,3, Rao, Chandana Venkateshwara^1,3, Selvaraj, Vijayanandraj^2,3,5 vijayanandraj.s.nbri@csir.res.in
Source:	Discover Plants (3005-1207). 6/18/2026, Vol. 3 Issue 1, p1-21. 21p.
Database:	Academic Search Ultimate
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DOI:	10.1007/s44372-026-00721-x