Figure 2
From: Implementation of force distribution analysis for molecular dynamics simulations
Visualization of force distribution. (A) A fit of ubiquitin (PDB code 1UBQ) with and without applied external strain. Only minor conformational re-arrangements are visible. (B) Color-coding of changes in pair-wise forces, ΔF, onto the protein structure reveals wide propagation of mechanical strain, even in parts showing no visible conformational change. Colors range from blue for ΔF = 0 to red for high ΔF. (C) Network representation of force distribution in ubiquitin. Edges represent residue pairs showing high change in pair-wise force.