Ivan Gushchin

Structure of a dodecameric double-ferritin-fold protein from an Asgard archaeon

The paper determines the Cryo-EM structure of a dodecameric double-ferritin-fold protein from an Asgard archaeon, revealing its unique structural features and implications for iron metabolism.

CARS: A General Force Field for Carotenoids

The paper introduces CARS, a transferable force field for carotenoids that improves simulation accuracy across diverse chemical structures and outperforms existing force fields.

Influence of molecular representation and charge on protein-ligand structural predictions by popular co-folding methods

This study evaluates how input format and charge affect protein-ligand structure predictions using four co-folding methods, finding format has a stronger impact than charge.

Structural and Functional Characterization of Encapsulin-Targeted Double Ferritin Fold Ferroxidases

The paper identifies and characterizes double ferritin-like proteins (DFLPs) that form homodimers, bind heme, and exhibit ferroxidase activity, with some targeted to encapsulin shells.

Discovery of excited state proton transfer in flavin-based fluorescent protein with large Stokes shift

The paper discovers a flavin-based fluorescent protein, LSSFbFP, with a large Stokes shift, achieved through excited state proton transfer, and validates its mechanism using spectroscopy and crystallography.

High-throughput algorithm predicts F-Type ATP synthase rotor ring stoichiometries of 8 to 27 protomers

The paper presents a high-throughput algorithm using AlphaFold to predict F-Type ATP synthase rotor ring stoichiometries from 8 to 27 protomers, validated with molecular dynamics simulations.

Engineering of soluble bacteriorhodopsin

This paper describes the engineering of soluble bacteriorhodopsin analogues and reports their crystal structure, demonstrating the potential of protein engineering for developing molecular tools.