Yangyu Huang

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: 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: A community‐wide assessment of methods to predict the effects of mutations on protein–protein interactions found that large‐scale fitness landscapes should continue to provide an excellent test bed for continued evaluation of both existing and new prediction methodologies.

TL;DR: A novel computational protocol is proposed, 3dRPC, which applies new schemes to the discreteness of molecule and charge in docking algorithm and the construction of the reference state in scoring function in order to take account of the features of RNA-protein interfaces.

TL;DR: An FFT-based algorithm to calculate ASP scores of protein complexes and develop an ASP-based protein-protein docking method (ASPDock), which may be more accurate and physical than the pure shape complementarity in describing the feature of protein docking.