Lab 14: Molecular Substrate & Pharmacological Engine

Tetrahedral lock-and-key docking, THz vibrational coupling & Prigogine ATP dissipation at T = 310.15 K

Resonant Tetrahedral Lock
Gibbs Energy (ΔG)
-43.7 kJ/mol
ΔH -58.0 | TΔS -14.3
Binding Affinity (Kd)
43.6 nM
High-affinity lock
Receptor Occupancy (Θocc)
18.6 %
At [L] = 10.0 nM
Thermal Output (Qheat)
2.00 fW
22.4 ATP/s turnover

Receptor Pocket & Vibrational Wave Field

Cgeo 1.00 · Cres 1.00

ΔG(θ) Well & Dissipative ATP Cycle

θ = 109.5°
Biophysical Presets
109.5°
90° Planar 109.47° sp3 125°
1.85 THz
0.50 THz 1.85 THz Res 3.20 THz
10.0 nM
0.5 nM EC50 ~ Kd 100 nM