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Gyration- and Inertia-Tensor-Based Collective Coordinates for Metadynamics. Application on the Conformational Behavior of Polyalanine Peptides and Trp-Cage Folding
- 1.VYMĚTAL, Jiří, VONDRÁŠEK, Jiří. Gyration- and Inertia-Tensor-Based Collective Coordinates for Metadynamics. Application on the Conformational Behavior of Polyalanine Peptides and Trp-Cage Folding. Journal of Physical Chemistry A. 2011, 115(41), 11455-11465. ISSN 1089-5639. E-ISSN 1520-5215. Available: doi: 10.1021/jp2065612
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