Research Article

Structural Exploration and Conformational Transitions in MDM2 upon DHFR Interaction from Homo sapiens: A Computational Outlook for Malignancy via Epigenetic Disruption

Table 4

Analysis for the strength in the interaction of MDM2 protein after interaction with DHFR protein/MDM2-DHFR complex.

Parameters for strength in interactionBefore interactionAfter interaction

Free energy of folding (kcal/mol)−107.23
(MDM2 protein)
−218.7
(protein complex)
DFire (kcal/mol)−249.79
(MDM2 protein)
−608.59
(protein complex)
Folding rate for MDM2 protein1.43209/sec2.08699/sec
Net area for solvent accessibility for MDM2 protein7832.73 Å25675.83 Å2