Analysis of MD simulations for prestin and pendrin

See OSF.io https://doi.org/10.17605/OSF.IO/BXFSA for MD simulations and input file.

Citation

Conformational changes underlying electromechanical transduction in prestin resemble a transport transition in pendrin. Chenou Zhang, Richard Mariadasse, Jie Yang, Jun-Ping Bai, Joseph Santos-Sacchi, Dhasakumar S Navaratnam, Oliver Beckstein. bioRxiv 2026.06.06.730624; doi: https://doi.org/10.64898/2026.06.06.730624

scripts

These scripts generated the figures in the manuscript:

• area_density - Fig. 3
• OP - Fig. 2, Supp. Figs. 2, 4, 6, 10
• site_distance - Fig. 7
• classifier - Fig. 2, Fig. 4, Supp. Fig. 1
• tau - Supp. Fig. 5
• quaternion - Supp. Figs. 13, 14
• Voronoi - Supp. Fig. 15