LB-PaCS-MD Guided Simulations Reveal Transient Stabilization during TCR-pMHC Dissociation.

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Bibliographic Details
Title: LB-PaCS-MD Guided Simulations Reveal Transient Stabilization during TCR-pMHC Dissociation.
Authors: Karnchanapandh K; Program in Bioinformatics and Computational Biology, College of Interdisciplinary and Integrative Studies, Chulalongkorn University, Bangkok 10330, Thailand., Songpipat P; Department of Biology, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand., Hanpaibool C; Center of Excellence in Biocatalyst and Sustainable Biotechnology, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand., Harada R; Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan., Hengphasatporn K; Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan., Shigeta Y; Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan.; Center of Excellence in Biocatalyst and Sustainable Biotechnology, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand., Rungrotmongkol T; Program in Bioinformatics and Computational Biology, College of Interdisciplinary and Integrative Studies, Chulalongkorn University, Bangkok 10330, Thailand.; Center of Excellence in Biocatalyst and Sustainable Biotechnology, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2026 Jun 15. Date of Electronic Publication: 2026 Jun 15.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1549-960X
DOI:10.1021/acs.jcim.6c00699