Application of a self-consistent mean field theory to predict protein side-chains conformation and estimate their conformational entropy.

Abstract

Understanding the relations between the conformation of the side-chains and the backbone geometry is crucial for structure prediction as well as for homology modelling. To attempt to unravel these rules, we have developed a method which allows us to predict the position of the side-chains from the co-ordinates of the main-chain atoms. This method is based… (More)

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