Ana Cristina Chang-Gonzalez

AltereGO fuses protein language models and structure representations to predict molecular functions, achieving better performance than individual models and some existing methods.

The paper develops a compound prioritization strategy using a multi-layer perceptron trained on docked poses from multiple docking approaches to identify putative binders for the nuclear receptor LRH-1.

The paper develops classifiers to distinguish functional and trafficking effects of KCNQ1 variants, improving variant interpretation for LQTS and channelopathies.

This study identifies a small molecule, VU0494372, that enhances KCNQ1 expression and trafficking, offering a potential therapeutic approach for LQTS.

The paper compares the mechanical behavior of two TCRs recognizing the same pMHC using MD simulations, showing differences in load response due to dynamic allostery.

The paper uses molecular dynamics simulations to show how asymmetric motion of TCR alpha beta chains affects peptide discrimination under mechanical force.