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Xue-Guang Shao

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Aug 2026

Alchemical Free-Energy Framework for Multiresidue Reoptimization of Antimicrobial Peptide-Membrane Affinity.

An alchemical free-energy framework that incorporates peptide-membrane affinity calculations into sequence reoptimization and establishes a physically grounded framework that integrates empirical AMP redesign with free-energy-based thermodynamic evaluation of multiresidue reoptimization.

Chun-Suo Tian, Meng-Chen Zhou, Hai-Peng Wang et al. · 0 citations

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