End-Point Affinity Estimation of Galectin Ligands by Classical and Semiempirical Quantum Mechanical Potentials.

J Chem Inf Model · 2025 · PMC11776057 · PMID 39754572

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closest p

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quite significantno p-value reported

Unfortunately, the inclusion of entropy in Δ G bind also led to increased noise and hence a decrease in correlation metrics, which was quite significant for most methods.

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