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Molecular Dynamics Simulation of Tau Peptides for the Investigation of Conformational Changes Induced by Specific Phosphorylation Patterns.
Gandhi NS, Kukic P, Lippens G, Mancera RL. Gandhi NS, et al. Methods Mol Biol. 2017;1523:33-59. doi: 10.1007/978-1-4939-6598-4_3. Methods Mol Biol. 2017. PMID: 27975243
The scaled MD method implemented in AMBER14 was chosen to achieve enhanced conformational sampling in addition to a conventional MD approach, thereby allowing the characterization of folding for such an intrinsically disordered peptide at 293 K. Emphasis is placed on the a …
The scaled MD method implemented in AMBER14 was chosen to achieve enhanced conformational sampling in addition to a conventional MD approach …