L. América Chi

PROTFIG automates the creation of publication-quality biomolecular figures from structural data with minimal manual input.

PepXPro curates and generates standardized protein-peptide datasets for benchmarking computational methods, providing a reproducible framework for dataset creation and evaluation.

The paper defines the MxA-Thogotovirus nucleoprotein interface using structural modeling and experimental validation, revealing key residues involved in restriction and escape.

This paper trains a neural network to correct FoldX's free energy predictions for protein folding and binding, significantly improving accuracy for single and double mutations and epistasis.

This study evaluates the MD+FoldX method's ability to predict SARS-CoV-2 antibody escape mutations using a large deep mutational scanning dataset, showing moderate correlation with experimental data.

This study identifies molecular mechanisms behind spectral shifts in zebrafish cone opsins using molecular modeling and quantum mechanics, highlighting key residues and structural features responsible for different absorption wavelengths.