Fig. 7
Free energy landscape analysis of PDK3. The Gibbs free energy landscapes were generated for (A) free PDK3, (B) the PDK3-Bagrosin complex, and (C) the PDK3-Dehydrocholic acid complex during a 100 ns MD simulation.
Fig. 7 | Scientific Reports
Free energy landscape analysis of PDK3. The Gibbs free energy landscapes were generated for (A) free PDK3, (B) the PDK3-Bagrosin complex, and (C) the PDK3-Dehydrocholic acid complex during a 100 ns MD simulation.
