Structure-Based In Silico Investigation of Agonists for Proteins Involved in Breast Cancer

Table 3

Potential and total energies (kcal/mol) of systems obtained after 100 ns simulation.

S. no.	Complex	Potential energy (kcal/mol)	Total energy (kcal/mol)
1.	3BBT-Isopropylideneandrographolide	−166930.943	−205596.718
2.	3BBT-Isocolumbin	−166941.883	−205610.056
3.	2IOG-Isopropylideneandrographolide	−85478.448	−105151.438
4.	2IOG-14-Acetylandrographolide	−85481.496	−105151.587