Frontiers of Mechanical Engineering >
Computation of the protein molecular mechanism using adaptive dihedral angle increments
Received date: 08 Nov 2012
Accepted date: 13 Dec 2012
Published date: 05 Mar 2013
Copyright
Protein motion simulation is still a troublesome problem yet to be solved, especially due to its high computational requirements. The procedure presented in this paper makes use of the proteins’ real degrees of freedom (DOFs). The procedure makes no use of any intermediate energy minimization processes that may alter the motion path or result in very high computational cost requirements. In order to reduce the computational cost, presented algorithms make use of the balls and rods approach for protein structure modelization. Also, structures are normalized in order to minimize inaccuracies introduced by experimental methods, providing a more efficient but still accurate structure for motion simulation.
Key words: kinematics; serial robot; proteins; folding; molecular mechanism
Mikel DIEZ , Victor PETUYA , Mónica URIZAR , Erik MACHO , Oscar ALTUZARRRA . Computation of the protein molecular mechanism using adaptive dihedral angle increments[J]. Frontiers of Mechanical Engineering, 2013 , 8(1) : 104 -108 . DOI: 10.1007/s11465-013-0360-9
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