TY - CHAP
T1 - ATTRACT and PTOOLS
T2 - Open source programs for protein-protein docking
AU - Schneider, Sebastian
AU - Saladin, Adrien
AU - Fiorucci, Sébastien
AU - Prévost, Chantal
AU - Zacharias, Martin
PY - 2012
Y1 - 2012
N2 - The prediction of the structure of protein-protein complexes based on structures or structural models of isolated partners is of increasing importance for structural biology and bioinformatics. The ATTRACT program can be used to perform systematic docking searches based on docking energy minimization. It is part of the object-oriented PTools library written in Python and C++. The library contains various routines to manipulate protein structures, to prepare and perform docking searches as well as analyzing docking results. It also intended to facilitate further methodological developments in the area of macromolecular docking that can be easily integrated. Here, we describe the application of PTools to perform systematic docking searches and to analyze the results. In addition, the possibility to perform multi-component docking will also be presented.
AB - The prediction of the structure of protein-protein complexes based on structures or structural models of isolated partners is of increasing importance for structural biology and bioinformatics. The ATTRACT program can be used to perform systematic docking searches based on docking energy minimization. It is part of the object-oriented PTools library written in Python and C++. The library contains various routines to manipulate protein structures, to prepare and perform docking searches as well as analyzing docking results. It also intended to facilitate further methodological developments in the area of macromolecular docking that can be easily integrated. Here, we describe the application of PTools to perform systematic docking searches and to analyze the results. In addition, the possibility to perform multi-component docking will also be presented.
KW - Binding interface prediction
KW - Coarse-grained modeling
KW - Flexible docking
KW - Normal mode analysis
KW - Protein-protein interaction
UR - https://www.scopus.com/pages/publications/84855964607
U2 - 10.1007/978-1-61779-465-0_15
DO - 10.1007/978-1-61779-465-0_15
M3 - Chapter
C2 - 22183540
AN - SCOPUS:84855964607
SN - 9781617794643
T3 - Methods in Molecular Biology
SP - 221
EP - 232
BT - Computational Drug Discovery and Design
A2 - Baron, Riccardo
ER -