most citedDiscovery of Self-Assembling -Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation

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

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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…