title: Perfect temperature for protein structure prediction and folding.
abstract: 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.
authors.affiliation: Institute of Protein Research, Russian Academy of Sciences, Puschino, Moscow Region, Russian Federation.
authors.forename: A V
authors.initials: AV
authors.lastname: Finkelstein
authors.forename: A M
authors.initials: AM
authors.lastname: Gutin
authors.forename: A Y
authors.initials: AY
authors.lastname: Badretdinov
mesh_terms: D003198:Computer Simulation; D008958:Models, Molecular; D011487:Protein Conformation; D011489:Protein Denaturation; D017510:Protein Folding; D013696:Temperature; D013816:Thermodynamics