Rachael A. Mansbach

The paper studies how different ligands interact with the SAM-I riboswitch, revealing conformational changes and insights for RNA-targeting drug design.

This study uses CpHMD simulations to analyze pH-dependent conformational changes in the GL13K antimicrobial peptide, revealing pKa variations and structural dynamics influenced by lysine deprotonation.

This study uses in silico methods to analyze the early aggregation of the β-sheet forming antimicrobial peptide GL13K, finding that charge affects multi-peptide systems more than isolated peptides.

The paper identifies serine residues as potential contributors to optical shifts in the water-soluble chlorophyll-a binding protein using molecular dynamics simulations.

The paper uses network analysis of SARS-CoV-2 Spike protein variants to identify critical residues and assess the impact of mutations on protein function and adaptation.

The paper introduces a graph-based algorithm to generate a homology modeling library for venom structure prediction, expanding the conotoxin structure library by 300%.