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B. Urbanc

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Experimental data-guided parameterization and validation of an AMBER protein force field

An improved force field is developed, derived from its parent, Amber ff24EXP-GA, and its evaluation against Amber ff14SB and other contemporary force fields, such as CHARMM36m, in capturing the empirically determined conformational properties of unfolded systems: short peptides that serve as model systems for IDPs, and longer unfolded proteins.

Athul Suresh, B. Urbanc · 0 citations