title: Robotic path planning and protein complex modeling considering low frequency intra-molecular loop and domain motions.
abstract: 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.
authors.affiliation: 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
authors.forename: Carlos A
authors.initials: CA
authors.lastname: Del Carpio
authors.forename: Pei
authors.initials: P
authors.lastname: Qiang
authors.forename: Eiichiro
authors.initials: E
authors.lastname: Ichiishi
authors.forename: Hideyuki
authors.initials: H
authors.lastname: Tsuboi
authors.forename: Michihisa
authors.initials: M
authors.lastname: Koyama
authors.forename: Nozomu
authors.initials: N
authors.lastname: Hatakeyama
authors.forename: Akira
authors.initials: A
authors.lastname: Endou
authors.forename: Hiromitsu
authors.initials: H
authors.lastname: Takaba
authors.forename: Momoji
authors.initials: M
authors.lastname: Kubo
authors.forename: Akira
authors.initials: A
authors.lastname: Miyamoto
mesh_terms: 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
chemical_list: D011506:Proteins