Crina-Maria Ionescu

NAChRDB provides a web resource with curated residue-level functional annotations and 3D visualization for neuromuscular nAChRs to aid in understanding their allosteric mechanisms.

The paper analyzes biosynthetic gene clusters in cyanobacteria to show that bioactivity of toxins drove their evolutionary diversity and survival strategies.

This paper introduces charge-perturbation dynamics (CPD), a molecular dynamics approach that accelerates protein folding simulations by perturbing atomic charges, achieving faster folding of medium-length peptides compared to classical MD.