Peptides are an important source molecules in drug discovery. Peptides conform aunique class of pharmaceutical compounds, molecularly poised between small molecules and proteins. Due to this feature peptides may act as modulators of protein – protein interactions in addition to some other targets.<br/>This work introduces D-Peptide Builder, a free online server for the rapid enumeration of combinatorial peptide libraries and explore their chemical space. The server enumerate linear and cyclic-peptide libraries from different sizes and structural modifications from a pool of naturally occurring amino acids.<br/>The chemical space of the newly generated peptides can be visualized through machine learning techniques such as PCA and t-SNE. Finally, the current version of D-Peptide Builder allows the analysis of the intra-set similarity by computing pair-wise similarity values with differents fingerprints of different design and the Tanimoto coefficient.

D-Peptide Builder: A web-based application to enumerate the chemical space of peptides

2019 Spring National Meeting

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