Rapid Generation of Transition-State Conformer Ensembles via Constrained Distance Geometry.
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| Title: | Rapid Generation of Transition-State Conformer Ensembles via Constrained Distance Geometry. |
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| Authors: | Schmid SP; Institute of Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich CH-8093, Switzerland.; NCCR Catalysis, Zurich CH-8093, Switzerland., Seng H; Institute of Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich CH-8093, Switzerland., Kläy T; Institute of Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich CH-8093, Switzerland., Jorner K; Institute of Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich CH-8093, Switzerland.; NCCR Catalysis, Zurich CH-8093, Switzerland. |
| Source: | Journal of chemical information and modeling [J Chem Inf Model] 2026 Mar 09; Vol. 66 (5), pp. 2777-2790. Date of Electronic Publication: 2026 Feb 12. |
| 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.5c02794 |
