2 papers
q-bio.BM2021
Retro Drug Design: From Target Properties to Molecular Structures
Yuhong Wang, Sam Michael, Ruili Huang +6
To generate drug molecules of desired properties with computational methods is the holy grail in pharmaceutical research. Here we describe an AI strategy, retro drug design, or RDD…
q-bio.BM2019
Protein contact map prediction using bi-directional recurrent neural network
Yuhong Wang, Wei Li, Hongmao Sun +1
Given native 2D contact map, protein 3D structure could be reconstructed with accuracy of 2A or better, and such reconstruction is a feasible computational approach for protein fol…