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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
- 1.0369244 - ÚOCHB 2012 RIV US eng J - Journal Article
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. Roč. 115, č. 41 (2011), s. 11455-11465. ISSN 1089-5639. E-ISSN 1520-5215
Institutional research plan: CEZ:AV0Z40550506
Keywords : metadynamics * protein folding * molecular simulations * collective coordinates
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006737
Number of the records: 1