R. Mansbach

most citedDiscovery of Self-Assembling

π

-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation

107 citations · 107 across the 2 of their papers we have counts for

collaborators

2 papers

q-bio.BM2020★ 107 cited

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

Kirill Shmilovich, Rachael A. Mansbach, Hythem Sidky +4

Electronically-active organic molecules have demonstrated great promise as novel soft materials for energy harvesting and transport. Self-assembled nanoaggregates formed from $π$ -c…

q-bio.QM2019

Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria

Rachael A. Mansbach, Inga V. Leus, Jitender Mehla +6

Gram-negative bacteria are a serious health concern due to the strong multidrug resistance that they display, partly due to the presence of a permeability barrier comprising two me…

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

Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria

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