Papers

Topics

Authors

Recent

View all

Assistant

AI Research Assistant

Well-researched responses based on relevant abstracts and paper content.

Custom Instructions Pro

Preferences or requirements that you'd like Emergent Mind to consider when generating responses.

Gemini 2.5 Flash

Gemini 2.5 Flash 83 tok/s

Gemini 2.5 Pro 34 tok/s Pro

GPT-5 Medium 24 tok/s Pro

GPT-5 High 21 tok/s Pro

GPT-4o 130 tok/s Pro

Kimi K2 207 tok/s Pro

GPT OSS 120B 460 tok/s Pro

Claude Sonnet 4.5 36 tok/s Pro

2000 character limit reached

Dummy Atom Based Thermodynamic Integration Accurately Predicts Disulfide Redox Free Energies in Proteins (2509.19200v1)

Published 23 Sep 2025 in physics.bio-ph and physics.comp-ph

Abstract: A thermodynamic integration (TI) protocol incorporating dummy atoms is introduced to calculate free energy differences for disulfide bond formation in proteins. This method successfully reproduces experimental redox potentials for multiple proteins, providing improved insights into the redox regulation of various proteins.