Yi Xiao

TL;DR: An automated and fast program, 3dRNA, is presented for RNA tertiary structure prediction with reasonable accuracy for RNAs of larger size and complex topology.

TL;DR: This paper is a report of a second round of RNA-Puzzles, a collective and blind experiment in three-dimensional (3D) RNA structure prediction, where seven groups predicted a lariat-capping ribozyme, as well as riboswitches complexed to adenosylcobalamin and tRNA, using state-of-the-art methods.

TL;DR: A third round of RNA-Puzzles is reported, with a notable need for an algorithm of improvement in the prediction of non-Watson-Crick interactions and the observed high atomic clash scores.

TL;DR: A number of designed protein-protein interfaces with very favorable computed binding energies but which do not appear to be formed in experiments are generated, suggesting that there may be important physical chemistry missing in the energy calculations.

TL;DR: It was found that SARS-CoV-2 binds ACE2 with a higher affinity than SARS -CoV, which may partly explain that SARs-Cov-2 is much more infectious than Sars- coV, and the computation suggested that the RBD-ACE2 binding for SARS-Co V-2 was much more temperature-sensitive than that for SARS/CoV.