  Phosphatidylinositol phosphates (PIPs) are membrane phospholipids that play
crucial roles in a wide range of cellular functions. However, there is a dearth
of experimental data in the literature on PIPs because their investigations are
not always feasible and often prohibitively expensive. Hence, there is great
interest in using computational simulations to study the structures,
transitions, and interactions of PIP-containing membranes. Assisted Model
Building with Energy Refinement (AMBER) is a molecular dynamics program with
validated force fields parameterized for a range of lipid types. The
development of AMBER's Lipid force fields is a continuous process with ongoing
work in both improving the accuracy of the simulated result and extending the
force field with diverse lipid types. The research conducted for this work
represents the first attempt to parameterize PIPs using the protocols of the
latest Lipid21 force field.
