ABSTRACT

Homology or comparative, also known as template-based modeling, is a technique aimed at predicting an unknown protein structure (target or query receptor) from a homologous protein (template) whose three-dimensional (3D) structure has been experimentally solved (Fiser 2004). The premise of this methodology lies in the assumption that homologous proteins, which

CONTENTS

8.1 Introduction ................................................................................................ 215 8.2 Homology Modeling Procedure .............................................................. 217

8.2.1 Selection of Template Structures of Related Proteins ............... 217 8.2.1.1 Amino Acid Sequence of the Target ............................. 217 8.2.1.2 Template Selection .......................................................... 217

8.2.2 Target-Template Sequence Alignment ........................................ 219 8.2.3 Initial Model Generation............................................................... 221 8.2.4 Structural Homology Model Renement ...................................222