From Static Pathways to Dynamic Mechanisms: A Committor-Based Data-Driven Approach to Chemical Reactions.
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| Title: | From Static Pathways to Dynamic Mechanisms: A Committor-Based Data-Driven Approach to Chemical Reactions. |
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| Authors: | Talmazan RA; Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche No. 7019, Université de Lorraine, Vandœuvre-lès-Nancy Cedex 54506, France., Chipot C; Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche No. 7019, Université de Lorraine, Vandœuvre-lès-Nancy Cedex 54506, France.; Theoretical and Computational Biophysics Group, Beckman Institute, and Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States.; Department of Biochemistry and Molecular Biology, The University of Chicago, Chicago, Illinois 60637, United States. |
| Source: | Journal of chemical information and modeling [J Chem Inf Model] 2026 Jan 26; Vol. 66 (2), pp. 994-1002. Date of Electronic Publication: 2026 Jan 05. |
| 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 |
| ISSN: | 1549-960X |
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| DOI: | 10.1021/acs.jcim.5c02906 |
