| Abstract 摘要 | De novo computer-assisted design of molecules has played important roles in discovering new inhibitors, chemicals and biomolecules for therapeutical and biotech purposes. However, its success rate is too low to be of widespread usage. The common problem is lack of an energy function that can accurately describe atomic interactions. In this talk, I present several methods ranging from small molecule design, target discovery, peptide design and protein design that are promising to advance the success rate of design to the next level. |
