Perfect temperature for protein structure prediction and folding.
We have investigated the influence of the "noise" of inevitable errors in energetic parameters on protein structure prediction. Because of this noise, only a part of all the interactions operating in a protein chain can be taken into account, and therefore a search for the energy minimum becomes inadequate for protein structure prediction. One can rather rely on statistical mechanics: a calculation carried out at a temperature T* somewhat below that of protein melting gives the best possible, though always approximate prediction. The early stages of protein folding also "take into account" only a part of all the interactions; consequently, the same temperature T* is favorable for the self-organization of native-like intermediates in protein folding.
Finkelstein
A V
AV
Institute of Protein Research, Russian Academy of Sciences, Puschino, Moscow Region, Russian Federation.
Gutin
A M
AM
Badretdinov
A Y
AY
D003198:Computer Simulation; D008958:Models, Molecular; D011487:Protein Conformation; D011489:Protein Denaturation; D017510:Protein Folding; D013696:Temperature; D013816:Thermodynamics