Protein structure predictions

Latest research

1. Predicting Toxicity of Insect Venom-Derived Antimicrobial Peptides Using MD Simulations: A Comparative Study of Multi-Component and Realistic Mammalian Membrane Models

   • P. Chandra Sekar
   • Ulka Gawde
   • Susan Idicula-Thomas

   in The Journal of Membrane Biology

   Article 18 October 2025

   

2. AIPred: comprehensive prediction and analysis of non-histone acetylation via protein language model and interpretable machine learning

   • Yuqing Geng
   • Hao Luo
   • Feng Gao

   in BMC Biology

   Article Open access 17 October 2025

   

3. Predicting vaccine effectiveness

   • Michael Attwaters

   in Nature Biomedical Engineering

   Article 17 October 2025

4. AQuaRef: machine learning accelerated quantum refinement of protein structures

   • Roman Zubatyuk
   • Malgorzata Biczysko
   • Pavel V. Afonine

   in Nature Communications

   Article Open access 17 October 2025

   

5. Learning conformational flexibility of immune receptors

   • Long-Chen Shen
   • Dong-Jun Yu
   • Jiangning Song

   in Nature Machine Intelligence

   Article 16 October 2025

   

6. Predicting the conformational flexibility of antibody and T cell receptor complementarity-determining regions

   • Fabian C. Spoendlin
   • Monica L. Fernández-Quintero
   • Charlotte M. Deane

   in Nature Machine Intelligence

   Article Open access 16 October 2025

   

7. DCMF-PPI: a protein-protein interaction predictor based on dynamic condition and multi-feature fusion

   • Siqi Chen
   • Anhong Zheng
   • Chao Zhan

   in BMC Bioinformatics

   Article Open access 15 October 2025

   

8. Prediction of UGT-mediated phase II metabolism via ligand- and structure-based predictive models

   • Ludovica Bono
   • Filippo Lunghini
   • Serena Vittorio

   in Journal of Cheminformatics

   Article Open access 15 October 2025

   

9. Predicting functions of uncharacterized gene products from microbial communities

   • Yancong Zhang
   • Amrisha Bhosle
   • Curtis Huttenhower

   in Nature Biotechnology

   Article Open access 15 October 2025

   

10. Advancing virulence factor prediction using protein language models

    • Yitong Liu
    • Xin Cao
    • Hong Li

    in BMC Biology

    Article Open access 14 October 2025

    

11. Does the MBSAQIP Bariatric Surgical Risk/Benefit Calculator Accurately Predict Weight Loss in Adolescents?

    • Michael A. Kochis
    • Justine O. Chinn
    • Cornelia L. Griggs

    in Obesity Surgery

    Article 10 October 2025

    

12. BioEmu is a biomolecular emulator for sampling protein structure ensembles

    • Arunima Singh

    in Nature Methods

    Article 09 October 2025

13. Cryo-EM structure of the yeast Saccharomyces cerevisiae SDH provides a template for eco-friendly fungicide discovery

    • Zhi-Wen Li
    • Yuan-Hui Huang
    • Guang-Fu Yang

    in Nature Communications

    Article Open access 08 October 2025

    

14. Improved structure prediction of protein complexes is within GRASP

    in Nature Methods

    Article 08 October 2025

    

15. Exploring machine learning models for predicting greenhouse gas emissions in Africa’s building sector: A case study of six nations

    • Abdullahi Mohamud Adam
    • Abdikarim Nor Osman
    • Farhad Bolouri

    in Environmental Systems Research

    Article Open access 06 October 2025

    

16. Advances in Machine Learning for Structural Seismic Response Prediction: A Comprehensive Review

    • Umar Ahmad Noor

    in Archives of Computational Methods in Engineering

    Article 06 October 2025

    

17. AI-driven protein pocket detection through integrating deep Q-networks for structural analysis

    • Prashanth Choppara
    • Lokesh Bommareddy

    in Journal of Computer-Aided Molecular Design

    Article 06 October 2025

    

18. SpatPPI: a geometric deep learning model for predicting protein–protein interactions involving intrinsically disordered regions

    • Zeyu Xu
    • Yanhao Zhu
    • Juntao Liu

    in Genome Biology

    Article Open access 06 October 2025

    

19. Investigating whether deep learning models for co-folding learn the physics of protein-ligand interactions

    • Matthew R. Masters
    • Amr H. Mahmoud
    • Markus A. Lill

    in Nature Communications

    Article Open access 06 October 2025

    

20. DeepMice: a novel protein–ligand molecular docking model based on multilevel mapping modules

    • Jiawei Liu
    • Qi Wang
    • Yu Cheng

    in Molecular Diversity

    Article 05 October 2025