Elucidating the conformational dynamics of the mitochondrial localization signal, M3, of TDP-43 and accessing potential binders using molecular docking and simulation.

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Title: Elucidating the conformational dynamics of the mitochondrial localization signal, M3, of TDP-43 and accessing potential binders using molecular docking and simulation.
Authors: Balaji R; Department of Biotechnology, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana 502284, India., Joshi H; Department of Biotechnology, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana 502284, India. Electronic address: hjoshi@bt.iith.ac.in., Patel BK; Department of Biotechnology, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana 502284, India. Electronic address: basantkpatel@bt.iith.ac.in.
Source: Computational biology and chemistry [Comput Biol Chem] 2026 Aug; Vol. 123, pp. 109029. Date of Electronic Publication: 2026 Mar 24.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Country of Publication: England NLM ID: 101157394 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-928X (Electronic) Linking ISSN: 14769271 NLM ISO Abbreviation: Comput Biol Chem Subsets: MEDLINE
Database: MEDLINE Ultimate
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ISSN:1476-928X
DOI:10.1016/j.compbiolchem.2026.109029