3 citations · 7 across the 14 of their papers we have counts for
5 papers · 1 filter
Biological Insights from Integrative Modeling of Intrinsically Disordered Protein Systems
Zi Hao Liu, Maria Tsanai, Oufan Zhang +2
Intrinsically disordered proteins and regions are increasingly appreciated for their abundance in the proteome and the many functional roles they play in the cell. In this short re…
Determining the Role of Electrostatics in the Making and Breaking of the Caprin1-ATP Nanocondensate
Maria Tsanai, Teresa Head-Gordon
We employ a multiscale computational approach to investigate the condensation process of the C-terminal low-complexity region of the Caprin1 protein as a function of increasing ATP…
A Workflow to Create a High-Quality Protein-Ligand Binding Dataset for Training, Validation, and Prediction Tasks
Yingze Wang, Kunyang Sun, Jie Li +4
Development of scoring functions (SFs) used to predict protein-ligand binding energies requires high-quality 3D structures and binding assay data for training and testing their par…
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…