ArticleJournal of chemical theory and computation2021
Diverse Scientific Benchmarks for Implicit Membrane Energy Functions.
Article in Journal of chemical theory and computation, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Chirobiophore: A Novel Framework for Quantifying Biochirality in Macromolecular Systems.Biomolecules · 2026Article
- Mechanistic Insights into Human Defensin Antimicrobial Activity from Membrane Simulations.The Journal of membrane biology · 2026Article
- Advancing Membrane-Associated Protein Docking with Improved Sampling and Scoring in Rosetta.Journal of chemical theory and computation · 2024Article
- Advancing membrane-associated protein docking with improved sampling and scoring in Rosetta.bioRxiv : the preprint server for biology · 2024Article
- Deep mutational scanning reveals sequence to function constraints for SWEET family transporters.bioRxiv : the preprint server for biology · 2024Article
- Modeling membrane geometries implicitly in Rosetta.Protein science : a publication of the Protein Society · 2024Article
- Implicit model to capture electrostatic features of membrane environment.PLoS computational biology · 2024Article
- Challenges of Protein-Protein Docking of the Membrane Proteins.Methods in molecular biology (Clifton, N.J.) · 2024Article
- Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks.Nature communications · 2021Article
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Authors and funding
3 authors.
Funding
Abstract
Energy functions are fundamental to biomolecular modeling. Their success depends on robust physical formalisms, efficient optimization, and high-resolution data for training and validation. Over the past 20 years, progress in each area has advanced soluble protein energy functions. Yet, energy functions for membrane proteins lag behind due to sparse and low-quality data, leading to overfit tools. To overcome this challenge, we assembled a suite of 12 tests on independent data sets varying in size, diversity, and resolution. The tests probe an energy function's ability to capture membrane protein orientation, stability, sequence, and structure. Here, we present the tests and use the
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Registered trials
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