{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,3]],"date-time":"2026-09-03T17:16:16Z","timestamp":1788455776641,"version":"build-2803163510"},"reference-count":63,"publisher":"American Chemical Society (ACS)","issue":"34","license":[{"start":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T00:00:00Z","timestamp":1787011200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T00:00:00Z","timestamp":1787011200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T00:00:00Z","timestamp":1787011200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,9,2]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>CRISPR-associated transposons (CASTs) enable programmable DNA integration, yet how the TnsC regulator forms processive filaments on DNA to coordinate RNA-guided transposition in type V-K CAST systems remains unknown. Here, we integrate large-scale molecular simulations, interpretable deep learning using graph attention networks (GATs), and causal inference analyses to define the molecular determinants of TnsC filament nucleation and elongation. We show that TnsC nucleates by inducing localized DNA deformation that propagates along extended filaments, with Granger causality revealing that TnsC motions precede and predict DNA deformation. Interpretable GAT models demonstrate that elongation is determined during early recognition between incoming and DNA-bound subunits, followed by structural reorganization that regenerates the recruitment interface and enables processive assembly. These results elucidate the molecular mechanism of processive TnsC filament assembly and explain why isolated TnsC filaments preferentially elongate in the 5\u2032 \u2192 3\u2032 direction, while accessory transposition factors can reshape the interaction landscape and alter filament growth polarity. Together, these findings advance our understanding of CAST function and inform the engineering of programmable DNA integration platforms. Beyond CAST systems, this work introduces an interpretable GAT approach as a general and transferable deep learning strategy for uncovering molecular mechanisms in biological systems, while demonstrating the power of causal inference for dissecting directional relationships in molecular dynamics.<\/jats:p>","DOI":"10.1021\/jacs.6c05500","type":"journal-article","created":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T16:26:49Z","timestamp":1787070409000},"page":"36530-36544","source":"Crossref","is-referenced-by-count":0,"title":["Decoding TnsC Filament\nAssembly in CRISPR-Associated\nTransposons Using Interpretable Deep Learning and Molecular Simulations"],"prefix":"10.1021","volume":"148","author":[{"given":"Chinmai","family":"Pindi","sequence":"first","affiliation":[{"name":"University of California Los Angeles , , 607 Charles E Young Dr E , , ,","place":["Los Angeles, California, United States, 90095"]},{"name":"University of California Riverside , , 900 University Avenue , , ,","place":["Riverside, California, United States, 92521"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohd","family":"Ahsan","sequence":"additional","affiliation":[{"name":"University of California Los Angeles , , 607 Charles E Young Dr E , , ,","place":["Los Angeles, California, United States, 90095"]},{"name":"University of California Riverside , , 900 University Avenue , , ,","place":["Riverside, California, United States, 92521"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4964-7713","authenticated-orcid":true,"given":"Souvik","family":"Sinha","sequence":"additional","affiliation":[{"name":"University of California Riverside , , 900 University Avenue , , ,","place":["Riverside, California, United States, 92521"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Elizabeth H.","family":"Kellogg","sequence":"additional","affiliation":[{"name":"St. Jude Children\u2019s Research Hospital , , , ,","place":["Memphis, Tennessee, United States, 38105"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1404-8737","authenticated-orcid":true,"given":"Giulia","family":"Palermo","sequence":"additional","affiliation":[{"name":"University of California Los Angeles , , 607 Charles E Young Dr E , , ,","place":["Los Angeles, California, United States, 90095"]},{"name":"University of California Riverside , , 900 University Avenue , , ,","place":["Riverside, California, United States, 92521"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,18]]},"reference":[{"issue":"7764","key":"2026090312084276500_cit1","doi-asserted-by":"publisher","first-page":"219","DOI":"10.1038\/s41586-019-1323-z","article-title":"Transposon-Encoded\nCRISPR\u2013Cas Systems Direct RNA-Guided DNA Integration","volume":"571","author":"Klompe","year":"2019","journal-title":"Nature"},{"key":"2026090312084276500_cit2","doi-asserted-by":"publisher","first-page":"48","DOI":"10.1126\/science.aax9181","article-title":"RNA-Guided DNA Insertion\nwith CRISPR-Associated Transposases","volume":"365","author":"Strecker","year":"2019","journal-title":"Science"},{"key":"2026090312084276500_cit3","doi-asserted-by":"publisher","first-page":"87","DOI":"10.1038\/s41587-023-01748-1","article-title":"Targeted\nDNA Integration in Human Cells without Double-Strand Breaks Using\nCRISPR-Associated Transposases","volume":"42","author":"Lampe","year":"2024","journal-title":"Nat. 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