Dear users, 1.) During the simulation the mean potential energy is minus (-) value. What does this mean? Why minus? 2.) let's say, Interface/Buried Surace Area (ISA) between protein and ligand was calculated and hydrophobic ISA obtained greater than hydrophilic ISA. What does this mean?
No one is my special advisor but If you help me, I will be happy. Thanks in advance -- Ahmet YILDIRIM
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