CHARMM TIP3p water model suppresses peptide folding by solvating the unfolded state
S Boonstra, PR Onck… - The journal of physical …, 2016 - ACS Publications
The accuracy of molecular dynamics simulations depends on the underlying force field,
defined by the form and parametrization of the interparticle potential functions and the water
model. The treatment of the solvent is crucial in molecular dynamics force fields, as …
defined by the form and parametrization of the interparticle potential functions and the water
model. The treatment of the solvent is crucial in molecular dynamics force fields, as …
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