HIGHLIGHTS
- who: Huanyu Tao from the (UNIVERSITY) have published the research work: Efficient 3D conformer generation of cyclic peptides formed by a disulfide bond, in the Journal: (JOURNAL) of November/13,/2020
- what: Inspired by the therapeutic potential of cyclic peptides, here the authors propose an extended version of MODPEP, named MODPEP2.0, to efficiently model the 3D structures of peptides cyclized through a disulfide bond. The main reason for large RMSDs of long peptides is that the conformational space grows exponentially with the number of rotatable bonds. The following reasons can explain this difference.
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