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Found 3 papers, 1 papers with code
Folding@home: achievements from over twenty years of citizen science herald the exascale era
Simulations of biomolecules have enormous potential to inform our understanding of biology but require extremely demanding calculations.
Structure-Based Experimental Datasets for Benchmarking of Protein Simulation Force Fields
This review article provides an overview of structurally oriented, experimental datasets that can be used to benchmark protein force fields, focusing on data generated by nuclear magnetic resonance (NMR) spectroscopy and room temperature (RT) protein crystallography.
Assigning Confidence to Molecular Property Prediction
Introduction: Computational modeling has rapidly advanced over the last decades, especially to predict molecular properties for chemistry, material science and drug design.
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