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q-bio.BM2025★ 1 cited
Carbonic anhydrase II simulated with a universal neural network potential
Timothy T. Duignan
The carbonic anhydrase II enzyme (CA II) is one of the most significant enzymes in nature, reversibly converting CO to bicarbonate at a remarkable rate. The precise mechanism i…
q-bio.BM2024
A potassium ion channel simulated with a universal neural network potential
Timothy T. Duignan
Potassium ion channels are critical components of biology. They conduct potassium ions across the cell membrane with remarkable speed and selectivity. Understanding how they do thi…