Ayşe Berçin Barlas

DynaPIN extracts dynamic interface fingerprints from molecular simulations to better characterize protein interactions beyond static models.

The paper evaluates if AlphaFold distograms can predict binding-induced hinge motions in proteins, showing they capture flexibility not seen in predicted structures.

This study compares DNMT3A and DNMT3B to show how they recognize different flanking sequences through distinct mechanisms.

The paper identifies AIFM1/AK2 interaction as a gatekeeper of mitochondrial ATP synthase, showing it is NADH-dependent and linked to metabolic state, with implications for mitochondrial diseases.

The paper benchmarks six structure-based binding affinity predictors on Spike-ACE2 mutations, finding FoldX performs best with R = -0.51 and 64% accuracy in binary classification.