Kinetic Rate Constant Prediction Supports the Conformational Selection Mechanism of Protein Binding
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چکیده
منابع مشابه
Kinetic Rate Constant Prediction Supports the Conformational Selection Mechanism of Protein Binding
The prediction of protein-protein kinetic rate constants provides a fundamental test of our understanding of molecular recognition, and will play an important role in the modeling of complex biological systems. In this paper, a feature selection and regression algorithm is applied to mine a large set of molecular descriptors and construct simple models for association and dissociation rate cons...
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Conformational selection in protein binding and function.
Protein binding and function often involves conformational changes. Advanced nuclear magnetic resonance (NMR) experiments indicate that these conformational changes can occur in the absence of ligand molecules (or with bound ligands), and that the ligands may "select" protein conformations for binding (or unbinding). In this review, we argue that this conformational selection requires transitio...
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Molecular recognition in biological macromolecules is achieved by binding interactions coupled to conformational transitions that precede or follow the binding step, two limiting mechanisms known as conformational selection and induced fit, respectively. Sorting out the contribution of these mechanisms to any binding interaction remains a challenging task of general interest in biochemistry. He...
متن کاملConformational selection or induced fit? A critical appraisal of the kinetic mechanism.
For almost five decades, two competing mechanisms of ligand recognition, conformational selection and induced fit, have dominated our interpretation of ligand binding in biological macromolecules. When binding-dissociation events are fast compared to conformational transitions, the rate of approach to equilibrium, k(obs), becomes diagnostic of conformational selection or induced fit based on wh...
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ژورنال
عنوان ژورنال: PLoS Computational Biology
سال: 2012
ISSN: 1553-7358
DOI: 10.1371/journal.pcbi.1002351