Yuanpeng Janet Huang

Hidden Structural States of Proteins Revealed by Conformer Selection with AlphaFold-NMR

AlphaFold-NMR reveals hidden conformational states of proteins using AI-driven sampling and Bayesian validation, uncovering structural heterogeneity in Gaussia luciferase and Cyclin-Dependent Kinase 2-Associated Protein 1.

The NMR Exchange Format (NEF): Specification and Applications

The paper introduces NEF, a standard for NMR data exchange, and demonstrates its application in structure determination, metabolomics, and ligand screening.

Modeling Alternative Conformational States in CASP16

This paper evaluates methods for modeling multi-state protein and RNA systems in CASP16, finding improved accuracy for some targets but persistent challenges in capturing structural details for others.

Blind Assessment of Monomeric AlphaFold2 Protein Structure Models with Experimental NMR Data

The paper assesses AlphaFold2 models against experimental NMR data for 9 monomeric proteins not used in training, finding they fit the data as well as or better than existing NMR structures.

SpecDB: A Relational Database for Archiving Biomolecular NMR Spectra Data

The paper introduces SpecDB, a relational database for archiving NMR FID data and metadata, to support machine learning in biomolecular NMR analysis.