Robotic path planning and protein complex modeling considering low frequency intra-molecular loop and domain motions.
A novel algorithm is introduced to deal with intra-molecular motions of loops and domains that undergo proteins at interaction with other proteins. The methodology is based on complex energy landscape sampling and robotic motion planning. Mapping high flexibility regions on the protein underlies the proposed algorithm. This is the first time this type of research has been reported. Application of the methodology to several protein complexes where remarkable backbone rearrangement is observed shows that the new algorithm is able to deal with the problem of change of backbone conformation at protein interaction. We have implemented the module within the system MIAX (Macromolecular interaction assessment computer system) and together with our already reported soft and flexible docking algorithms we have developed a powerful tool for protein function analysis as part of wide genome function evaluation.
Del Carpio
Carlos A
CA
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan. carlos@aki.che.tohoku.ac.jp
Qiang
Pei
P
Ichiishi
Eiichiro
E
Tsuboi
Hideyuki
H
Koyama
Michihisa
M
Hatakeyama
Nozomu
N
Endou
Akira
A
Takaba
Hiromitsu
H
Kubo
Momoji
M
Miyamoto
Akira
A
D000465:Algorithms; D003198:Computer Simulation; D008958:Models, Molecular; D009038:Motion; D011485:Protein Binding; D011487:Protein Conformation; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary; D011506:Proteins / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*; D012371:Robotics
D011506:Proteins