Author

Chenyu Tang

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#protein folding Open access Sep 2026

Breaking timescales with generative sampling of conformational transitions

Gen-COMPAS is introduced, a generative committor-guided path-sampling framework that reconstructs rare biomolecular transition pathways and reveals the underlying thermodynamics and kinetics without using predefined collective variables or brute-force sampling, at an acceptable computational cost.

Chen-Yu Tang, M. P. Pandey, Cheng Giuseppe Chen et al. · Nature · 3 citations

Review Open access Aug 2026

Learning the reaction coordinate: collective variables from physical intuition to generative models

The arc of CV discovery is traced from intuition-driven heuristics to modern data-driven and generative frameworks, critically assess the strengths and limitations of each class of methods, and outline how the convergence of machine-learned potentials, automated CV learning, generative sampling, and causal interpretabi...

R. Talmazan, Cheng Giuseppe Chen, Chen-Yu Tang et al. · Digital Discovery · 0 citations