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Questions related from Juan Torres
why do i get asterisks in gridpoint 2? i am new to this ONIOM topic. it is a single point energy calculation, where in the high layer there are 18 residues and a ligand, and in the low layer the...
24 April 2023 8,439 0 View
I performed a single point energy calculation using ONIOM in Gaussian 09. In my ONIOM calculation, I included 18 residues and the ligand in the high layer, while the rest of the enzyme was in the...
06 April 2023 2,632 3 View
Hi everyone. I am studying two different ligands bound to the same enzyme. I want to find out which one has a more favorable interaction using ONIOM energy calculations in Gaussian. I did not...
01 January 1970 1,143 0 View
