Key result
Template-guided ColabFold AlphaFold2 reproducibly generates hERG channel models in closed, open, and inactivated states.
Why the study?
Voltage-gated ion channels like hERG adopt multiple conformational states critical for function and drug binding, but experimentally resolved structures often capture only a limited subset of these states.
This protocol provides a computational framework using ColabFold and template-guided sampling to generate multiple conformational states of the hERG channel, which is critical for drug safety evaluation.
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Ngo et al. (2026) studied hERG (KV11.1) channel conformational states. ColabFold AlphaFold2 with tailored structural templates was evaluated on Generation of state-specific models. A template-guided ColabFold AlphaFold2 protocol enables reproducible generation of hERG channel models in closed, open, and inactivated conformations.
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