Author
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6 papers
Recent·Most cited
H. Woods, J. Koehler Leman, J. Meiler
The paper modifies Rosetta's membrane energy function to model membrane geometries beyond flat bilayers, improving structure refinement and design for membrane proteins.
The paper describes a protocol for multi-template homology modeling of membrane proteins using Rosetta, improving accuracy by integrating multiple templates.
G. Kuenze, R. Bonneau, J. Koehler Leman, J. Meiler
RosettaNMR improves protein structure prediction by integrating paramagnetic NMR restraints with chemical shifts and NOE data, achieving high accuracy in 50% of benchmark cases.
This paper introduces a domain assembly protocol for membrane proteins that constructs full-length models without requiring domain interfaces or orientation knowledge.
J. Koehler Leman, A. R. D'Avino, Y. D. Bhatnagar, J. J. Gray
The paper compares NMR and crystal structures of membrane proteins, identifies structural differences, and proposes refinement methods to improve NMR model quality.
J. Koehler Leman, S. Lyskov, R. Bonneau
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.