40 citations · 70 across the 9 of their papers we have counts for
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physics.chem-ph2022
Efficient Calculation of NMR Shielding Constants Using Composite Method Approximations and Locally Dense Basis Sets
Jiashu Liang, Zhe Wang, Jie Li +5
This paper presents a systematic study of applying composite method approximations with locally dense basis sets (LDBS) to efficiently calculate NMR shielding constants in small an…
physics.bio-ph2022★ 40 cited
Learning to Evolve Structural Ensembles of Unfolded and Disordered Proteins Using Experimental Solution Data
Oufan Zhang, Mojtaba Haghighatlari, Jie Li +5
We have developed a Generative Recurrent Neural Networks (GRNN) that learns the probability of the next residue torsions from the pre…
physics.bio-ph2022★ 2 cited
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…