LoopTK (Protein Loop Kinematic Toolkit)is a C++ based object-oriented toolkit which models the kinematics of a protein chain and provides methods to explore its motion space. In LoopTK, a protein chain is modeled as a robot manipulator with bonds acting as arms and the dihedral degree of freedoms acting as joints. LoopTK is designed specifically to model the kinematics of protein loops, but it can be used to analyze the motion of any part of the protein chain. LoopTK provides methods for sampling the conformation space of protein loops as well as the self motion space of a loop. Example applications for LoopTK include x-ray crystallography, homology modeling, and drug design.
:: MORE INFORMATION
P. Yao, A. Dhanik, N. Marz, R. Propper, C. Kou, G. Liu, H. van den Bedem, J.C. Latombe, I. Halperin-Landsberg, R.B. Altman.
“Efficient Algorithms to Explore Conformation Spaces of Flexible Protein Loops“,
IEEE/ACM Transactions on Computational Biology and Bioinformatics, vol. 5, pp. 534-545, 2008. (2008)