Use of Molecular Dynamics for the Refinement of an Electrostatic Model for the In Silico Design of a Polymer Antidote for the Anticoagulant Fondaparinux
Figure 10
Computer simulated for polymers with radii, , of 2.0 nm, 4.0 nm, 6.0 nm, and 10.0 nm. All different sized polymers were tested using an of 9.16 Å with 20 R6-1 binding groups with different effective charges. is the geometric mean of 1,000 calculated values. The error bars represent the 95% confidence interval. The effective charges shown were normalized against the undisclosed effective charge of the R4-1 binding groups.
