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Which inaccuracy arises when calculating a protein's structure using density functional theory?

A)Electron correlation is poorly approximated
B)Relativistic effects become significant
C)Vibrational entropy contributes significantly
D)Solvent interactions are overemphasized

💡 Explanation

Calculations can misrepresent true structure because electron correlation is approximated by the exchange-correlation functional in density functional theory, therefore inaccurate models often occur rather than the alternatives that require molecular dynamics.

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