Membrane/Toxin Interaction Energetics via Serial Multiscale Molecular Dynamics Simulations

Membrane/Toxin Interaction Energetics via Serial Multiscale Molecular Dynamics Simulations

Computing free energies of complex biomolecular systems via atomistic (AT) molecular dynamics (MD) simulations remains a challenge due to the need for adequate sampling and convergence. Recent coarse-grained (CG) methodology allows simulations of significantly larger systems (~106 to 108 atoms) over...

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Dettagli Bibliografici
Autori principali:	Wee, C, Ulmschneider, M, Sansom, M
Natura:	Journal article
Lingua:	English
Pubblicazione:	2010

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