PMC:1635054 / 17136-17847 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/1635054","sourcedb":"PMC","sourceid":"1635054","source_url":"https://www.ncbi.nlm.nih.gov/pmc/1635054","text":"where ΔE is the difference between the energy of the current conformation and the new conformation. A protein conformation is modelled as a list of N vectors, where N is the number of Cα atoms of the protein. The neighbourhood of both MCS and TS consists of conformations resulting from changes of one, two or three consecutive indices. A single index change results in a new structure where one part of the structure is fixed and the other part is translated. Two or three indices are changed locally such that the parts of the structure before and after the changing indices are fixed. All local index changes between two lattice points can be stored in a table to speed up the computation time significantly.","tracks":[]}