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Metadynamics As a Tool for Mapping the Conformational and Free-Energy Space of Peptides - The Alanine Dipeptide Case Study

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    0351148 - ÚOCHB 2011 RIV US eng J - Journal Article
    Vymětal, Jiří - Vondrášek, Jiří
    Metadynamics As a Tool for Mapping the Conformational and Free-Energy Space of Peptides - The Alanine Dipeptide Case Study.
    Journal of Physical Chemistry B. Roč. 114, č. 16 (2010), s. 5632-5642. ISSN 1520-6106. E-ISSN 1520-5207
    R&D Projects: GA MŠMT LC512
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : metadynamics * alanine dipeptide * explicit water models
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 3.603, year: 2010

    Permanent Link: http://hdl.handle.net/11104/0006157
     
Number of the records: 1  

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