id author title date pages extension mime words sentences flesch summary cache txt cord-022494-d66rz6dc Webb, B. Comparative Modeling of Drug Target Proteins 2014-10-01 .txt text/plain 8782 453 47 Comparative modeling consists of four main steps 23 (Figure 2 (a)): (1) fold assignment that identifies similarity between the target sequence of interest and at least one known protein structure (the template); (2) alignment of the target sequence and the template(s); (3) building a model based on the alignment with the chosen template(s); and (4) predicting model errors. Modeller implements comparative protein structure modeling by the satisfaction of spatial restraints that include: (1) homologyderived restraints on the distances and dihedral angles in the target sequence, extracted from its alignment with the template structures; 35 (2) stereochemical restraints such as bond length and bond angle preferences, obtained from the CHARMM-22 molecular mechanics force field; 107 (3) statistical preferences for dihedral angles and nonbonded interatomic distances, obtained from a representative set of known protein structures; 108 and (4) optional manually curated restraints, such as those from NMR spectroscopy, rules of secondary structure packing, cross-linking experiments, fluorescence spectroscopy, image reconstruction from electron microscopy, site-directed mutagenesis, and intuition ( Figure 2(b) ). ./cache/cord-022494-d66rz6dc.txt ./txt/cord-022494-d66rz6dc.txt