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24. Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal-Organic Frameworks. Demuynck R; Wieme J; Rogge SMJ; Dedecker KD; Vanduyfhuys L; Waroquier M; Van Speybroeck V J Chem Theory Comput; 2018 Nov; 14(11):5511-5526. PubMed ID: 30336016 [TBL] [Abstract][Full Text] [Related]
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