Protein Folding Simulation in CCP

Abstract

A protein is a list of linked units called aminoacids. There are 20 different kinds of aminoacids and the typical length of a protein is 100–500 units. The Protein Structure Prediction Problem (PSP) is the problem of predicting the 3D native conformation of a protein, when its aminoacid sequence is known. The process for reaching … n this work we adopt a simplified representation of a protein where each aminoacid is represented by a center of interaction. This simplification, while loosing some details, has the advantage of being computationally tractable and of having smoother potential landscapes. A recently developed empirical contact energy function …