J. Koehler Leman

Modeling membrane geometries implicitly in Rosetta

The paper modifies Rosetta's membrane energy function to model membrane geometries beyond flat bilayers, improving structure refinement and design for membrane proteins.

Specificities of modeling membrane proteins using multi-template homology modeling

The paper describes a protocol for multi-template homology modeling of membrane proteins using Rosetta, improving accuracy by integrating multiple templates.

Integrative protein modeling in RosettaNMR from sparse paramagnetic restraints

RosettaNMR improves protein structure prediction by integrating paramagnetic NMR restraints with chemical shifts and NOE data, achieving high accuracy in 50% of benchmark cases.

A novel domain assembly routine for creating full-length models of membrane proteins from known domain structures

This paper introduces a domain assembly protocol for membrane proteins that constructs full-length models without requiring domain interfaces or orientation knowledge.

Comparison Of NMR And Crystal Structures Of Membrane Proteins And Computational Refinement To Improve Model Quality

The paper compares NMR and crystal structures of membrane proteins, identifies structural differences, and proposes refinement methods to improve NMR model quality.

Computing structure-based lipid accessibility of membrane proteins with mp_lipid_acc in RosettaMP

The paper introduces mp_lipid_acc, a tool to predict lipid accessibility in membrane proteins using structural data, achieving 90% accuracy on a curated benchmark dataset.