Zanxia Cao

The paper determines the structures of human VIAAT in multiple functional states and elucidates its substrate recognition and ion coupling mechanism.

OT-RMSD generalizes the RMSD metric for aligning unequal-length protein structures without pre-defined alignment, showing improved accuracy over existing methods.

LieOTMap fits high-resolution atomic models into cryo-EM maps using a differentiable framework based on Lie algebra and optimal transport, achieving accurate alignment of E. coli GroEL.

LieMap fits high-resolution atomic models into cryo-EM maps using gradient-based optimization, achieving a low RMSD for E. coli GroEL structure fitting.

LieOTDock generates high-quality protein docking poses using Lie group optimization and optimal transport, achieving 3.43 Å RMSD on a benchmark in under three minutes.

LieOTAlign introduces a differentiable protein structure alignment framework using Lie algebra and optimal transport, achieving higher TM-scores on benchmark datasets.

This study shows that the swing motion of lysine side chains in AapA1 toxin enhances water transport through transmembrane pores formed by the protein.

This paper uses mathematical modeling to show that ADCC targeting Th cells hinders HIV vaccine development by damaging immune responses and reducing vaccine effectiveness.

The paper examines genetic variations in the hACE2 gene across ethnic populations and assesses their potential impact on SARS-CoV-2 binding.