Impact of Peptide Initial Configuration and Membrane Composition on Melittin's Pore-Forming Ability under Unbiased All-Atom Molecular Dynamics Simulations
Zhihao Zhao, Yilin Guo, Jiaxiang Cai, Peilin Xie, Jiahui Guan, Lantian Yao, Yulan Liu, Chia‐Ru Chung, Tzong-Yi Lee, Ying‐Chih Chiang
This study uses molecular dynamics simulations to show that melittin's pore-forming ability depends on initial configuration and membrane composition, with lysine-7 playing a key role in pore formation.
bioRxiv · May 28, 2025 · PreprintBiochemistry