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Proteinfixed.rar -

Brief steepest-descent minimization using the AMBER or CHARMM force fields to remove atomic overlaps.

Assessment of the "fixed" structures via Ramachandran plots (ProCheck) and MolProbity scores. 4. Results and Discussion proteinFixed.rar

Brief analysis of the active sites or binding pockets preserved in the proteinFixed dataset. 5. Conclusion correcting non-standard residues

Report on the elimination of outliers in the Ramachandran phi/psi distributions. or optimizing hydrogen bond networks.

In computational biology, protein structures often require "fixing"—the process of adding missing atoms, correcting non-standard residues, or optimizing hydrogen bond networks.