Discovery of Self-Assembling π‑Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation

Shmilovich, Kirill ; Mansbach, Rachael A ; Sidky, Hythem ; Dunne, Olivia E ; Panda, Sayak Subhra ; Tovar, John D ; Ferguson, Andrew L

The journal of physical chemistry. B, 2020-05, Vol.124 (19), p.3873-3891 [Periódico revisado por pares]

United States: American Chemical Society

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