A Gibbs free energy formula for protein folding derived from quantum statistics  

作　　者：FANG Yi 

机构地区：[1]Department of Mathematics, Nanchang University

出　　处：《Science China(Physics,Mechanics & Astronomy)》2014年第8期1547-1551,共5页中国科学：物理学、力学、天文学（英文版）

摘　　要：The fundamental law for protein folding is the thermodynamic principle.The amino acid sequence of a protein determines its native structure and the native structure has the minimum Gibbs free energy.Lacking of a Gibbs free energy formula is the reason that all ab initio protein structure prediction only empirical and various empirical energy surfaces or landscapes are introduced to fill the gap.We make a quantum mechanics derivation of the Gibbs free energy formula G(X)using quantum statistics for a single conformation X.For simplicity,only monomeric self folding globular proteins are considered.The fundamental law for protein folding is the thermodynamic principle. The amino acid sequence of a protein determines its native structure and the native structure has the minimum Gibbs free energy. Lacking of a Gibbs free energy formula is the reason that all ab initio protein structure prediction only empirical and various empirical energy surfaces or landscapes are introduced to fill the gap. We make a quantum mechanics derivation of the Gibbs free energy formula G（X） using quantum statistics for a single conformation X. For simplicity, only monomeric self folding globular proteins are considered.

关 键 词：protein folding Gibbs free energy quantum mechanics statistical mechanics globular protein 

分 类 号：O414.2[理学—理论物理]