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.
· Journal of Chemical Theory a... · 0 citations