Xiaolin Cheng

Conformational Reorganization of a Processive Cellulase on Crystalline Cellulose

This study uses SANS and molecular dynamics to show that Cel7A adopts distinct conformations when bound to cellulose compared to free solution, highlighting dynamic structural changes during catalysis.

Design, Amino-Acid-Derived Analogues of FTY-720 and OSU-2S as PP2A Activators: Structure-Activity Relationships and Identification of Lead Compound XML-3D

The paper designs and evaluates amino-acid-derived PP2A activators, identifies XML-3D as a lead compound with improved cytotoxicity compared to FTY-720 and OSU-2S.

The in vivo inhibitory function of the MHC-I alpha3 domain/CD8alpha interaction

This study identifies the MHC-I alpha3 domain-CD8 interaction as an inhibitory pathway that restrains CD8+ T-cell activation and maintains tolerance in vivo.

Structural and Functional Mechanisms Underlying Activation Gate Dynamics and IFM Motif Accessibility in Human Nav1.5

This study presents a cryo-EM structure of human Nav1.5 in an intermediate open state, revealing a new Na+ binding site and showing ion binding modulates IFM motif docking and inactivation kinetics.

Agonism of mosquito and human transient receptor potential ankyrin 1 (TRPA1) channels by the natural drimane sesquiterpene cinnamodial

This paper investigates the agonism of mosquito and human TRPA1 channels by cinnamodial, comparing its potency and selectivity to other agonists and identifying potential binding sites.

MSACLR: Contrastive Learning of Protein Conformations from MSAs

MSACLR uses contrastive learning to map multiple sequence alignments to protein conformations, achieving better fold separation and capturing conformational variation.

Discovery of Niclosamide Analogs with Potent Mitochondrial Uncoupling Activity with reduced toxicity

This study develops Niclosamide analogs with improved mitochondrial uncoupling activity and reduced toxicity for cancer treatment.

Ammonia-mediated Conformational Dynamics in SCAP for SREBP Activation

This study uses molecular dynamics simulations to show ammonia induces conformational changes in SCAP that activate the SREBP pathway by promoting dissociation from Insig.