Molecular dynamics simulation of human interleukin-4: comparison with NMR data and effect of pH, counterions and force field on tertiary structure stability

The human protein interleukin-4 (IL-4) has been simulated at two different pH values 2 and 6, with different amounts of counterions present in the aqueous solution, and with two different force-field parameter sets using molecular dynamics simulation with the aim of validation of force field and sim...

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Bibliographic Details
Main Authors: Winger, M, Yu, H, Redfield, C, Van Gunsteren, W
Format: Journal article
Language:English
Published: 2007