2 citations · 4 across the 5 of their papers we have counts for
4 papers
Computational Methods to Investigate Intrinsically Disordered Proteins and their Complexes
Zi Hao Liu, Maria Tsanai, Oufan Zhang +2
In 1999 Wright and Dyson highlighted the fact that large sections of the proteome of all organisms are comprised of protein sequences that lack globular folded structures under phy…
A Curated Rotamer Library for Common Post-Translational Modifications of Proteins
Oufan Zhang, Shubhankar A. Naik, Zi Hao Liu +2
Sidechain rotamer libraries of the common amino acids of a protein are useful for folded protein structure determination and for generating ensembles of intrinsically disordered pr…
Learning Correlations between Internal Coordinates to improve 3D Cartesian Coordinates for Proteins
Jie Li, Oufan Zhang, Seokyoung Lee +5
We consider a generic representation problem of internal coordinates (bond lengths, valence angles, and dihedral angles) and their transformation to 3-dimensional Cartesian coordin…
NewtonNet: A Newtonian message passing network for deep learning of interatomic potentials and forces
Mojtaba Haghighatlari, Jie Li, Xingyi Guan +10
We report a new deep learning message passing network that takes inspiration from Newton's equations of motion to learn interatomic potentials and forces. With the advantage of dir…