Sanketh Vedula

This study analyzes β-turn dynamics using molecular dynamics data to identify six types, including a hybrid I/I' cluster, and shows sequence and structural factors influence their conformational behavior.

This study uses density-guided AlphaFold3 to reveal unmodeled conformational heterogeneity in β2-microglobulin from crystallographic maps.

Alvessa improves accuracy in functional genomics and drug target assessment by integrating evidence-based reasoning and verification.

This paper shows how AlphaFold3 can be guided by experimental data to predict accurate protein ensembles, including alternate conformations.

The paper shows that adding peptide tags to scaffold proteins reduces prediction accuracy in chimeric proteins, but appending their multiple sequence alignment restores accuracy.

The paper uses molecular dynamics simulations to show that proteins can adopt dual, transiently stable conformations, which current prediction methods fail to capture.