Calculation of the minimum energy conformation of biomolecules by using a global optimization technique. V. Preferred conformations of the thyrotropin-releasing hormone

The preferred conformations of the thyrotropin-releasing hormone (TRH) have been calculated by the global optimization method proposed earlier by us. [G. Subba Rao, R. S. Tyagi, and R. K. Mishra, J. Theor. Biol. 90 , 377 (1981)]. The potential function used comprises the electrostatic, nonbonded, torsional and hydrogen-bonding terms. The results are in good agreement with the crystal structures of TRH. No intramolecular hydrogen bonding is found to occur.