Happy to share our latest work "Large-scale energy decomposition for the analysis of protein stability". We use simple simulations to predict the impact of mutations on stability of more than 250 mutants in different folds. https://doi.org/10.1016/j.cstres.2025.01.001
#CompChem #CompBiol #AI #Biotech

See how to use #compchem #compbiol #AI #MachineLearning to Design Antibodies, Antigens and Immunogens for vaccinology. Our work in Journal of Chemical Theory and Computation @JCIM_JCTC

https://pubs.acs.org/doi/10.1021/acs.jctc.3c00513