Computational Studies of Venom Peptides Targeting Potassium Channels
Abstract
:1. Overview of Ion Channels and Venom Peptides
2. Structure of K+ Channels
3. Computational Methods
3.1. Prediction of Binding Modes
Items | Docking | BD | MD |
---|---|---|---|
Water | Implicit | Implicit | Explicit |
Ions | Ignored | Explicit | Explicit |
Membrane | Ignored | Implicit | Explicit |
Flexibility | Ignored/Limited | Ignored | Allowed |
Output trajectory | No | Yes | Yes |
Time scale | - | Microseconds | Nanoseconds |
3.2. Calculation of Kd
4. Venom Peptides
4.1. Scorpion Toxins
4.2. Conotoxins
4.3. Spider Toxins
4.4. Other Animal Toxins
5. Toxin Analogues
6. Concluding Remarks
Acknowledgments
Author Contributions
Conflicts of Interest
References
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Chen, R.; Chung, S.-H. Computational Studies of Venom Peptides Targeting Potassium Channels. Toxins 2015, 7, 5194-5211. https://doi.org/10.3390/toxins7124877
Chen R, Chung S-H. Computational Studies of Venom Peptides Targeting Potassium Channels. Toxins. 2015; 7(12):5194-5211. https://doi.org/10.3390/toxins7124877
Chicago/Turabian StyleChen, Rong, and Shin-Ho Chung. 2015. "Computational Studies of Venom Peptides Targeting Potassium Channels" Toxins 7, no. 12: 5194-5211. https://doi.org/10.3390/toxins7124877