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Conditioned free-energy density of proteins using unbalanced solutions to constraint satisfaction problems

arXiv CS Tuesday 02 June 2026, 04:00 UTC By Pratik Worah, Subhash Khot, Srinivasa Varadhan 1 min read
Key Points

arXiv:2606.01329v1 Announce Type: new Abstract: We show that computing the log-partition function (free-energy) of conditioned inhomogeneous Curie--Weiss spin Hamiltonians reduces to an unbalanced $2 \to 1$ norm computation, and design a polynomial-time SDP algorithm for this problem with a lower bound proof for the amount of unbalance achieved. Applied to the protein Ubiquitin, the framework starts from a known crystal structure, explores alternative backbone conformations across the...

arXiv:2606.01329v1 Announce Type: new Abstract: We show that computing the log-partition function (free-energy) of conditioned inhomogeneous Curie--Weiss spin Hamiltonians reduces to an unbalanced $2 \to 1$ norm computation, and design a polynomial-time SDP algorithm for this problem with a lower bound proof for the amount of unbalance achieved. Applied to the protein Ubiquitin, the framework starts from a known crystal structure, explores alternative backbone conformations across the free-energy landscape, and identifies flexible regions of the protein while preserving its native secondary structure.
Hamiltonians (ORG) SDP (ORG) Ubiquitin (ORG)
Originally published by arXiv CS Read original →

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