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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 Prem2,3, Marimuthu, Chinnakaruppan2,3, Jeyaraj, Gnanaprakash4, Singh, Abhilasha2,3, Bhuria, Swati2,3, Kumar, Susheel2,3, Rao, Chandana Venkateshwara1,3, Selvaraj, Vijayanandraj2,3,5 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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  Data: 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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  Data: <searchLink fieldCode="JN" term="%22Discover+Plants+%283005-1207%29%22">Discover Plants (3005-1207)</searchLink>. 6/18/2026, Vol. 3 Issue 1, p1-21. 21p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=194698587
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        Value: 10.1007/s44372-026-00721-x
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              M: 06
              Text: 6/18/2026
              Type: published
              Y: 2026
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