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Autor:
Jenn K. Hwang, Kengjie Li, Luis Agulló, Sílvia Osuna, Miquel Estévez-Gay, Pau Marc Muñoz-Torres, Jordi Villà-Freixa, Martin Floor
Publikováno v:
Journal of chemical information and modeling. 61(7)
Molecular dynamics (MD) simulations have become a standard tool to correlate the structure and function of biomolecules and significant advances have been made in the study of proteins and their complexes. A major drawback of conventional MD simulati