Publication - Journal Article PTM-Psi: A python package to facilitate the computational investigation of post-translational modification on protein structures and their impacts on dynamics and functions

https://doi.org/10.1002/pro.4822
Description

Citation: Mejia-Rodriguez D, Kim H, Sadler N, Li X, Bohutskyi P, Valiev M, Qian WJ, Cheung MS. PTM-Psi: A python package to facilitate the computational investigation of post-translational modification on protein structures and their impacts on dynamics and functions. Protein Sci. 2023 Dec;32(12):e4822. doi: 10.1002/pro.4822. PMID: 37902126; PMCID: PMC10659954.

Predictive Phenomics
Post-Translational Modifications
Quantum mechanics
Molecular dynamics
Projects (3)
Project
Predictive Phenomics Initiative Project Dataset Catalog Collection

Welcome to the PPI Project Dataset Catalog Collection! The Predictive Phenomics Initiative (PPI) is an internal LDRD investment at Pacific Northwest National Laboratory focused on unraveling the mysteries of molecular function in complex biological systems. Explore PPI research project data package...

Renewable Energy
Scientific Discovery
Biology
Human Health
Integrative Omics
Computational Mathematics & Statistics
Data Analytics & Machine Learning

  1. Datasets

    17
Project
Predicting Cellular States from Emergent Protein Assemblies

The research goal of this project is to develop new theory and tools that leverage evolutionary perspectives and knowledge of the energetics of reactions to predict the most likely regulation in a given environment. These methods will accelerate exploration, modeling and understanding of cell...

Scientific Discovery
Biology

  1. Datasets

    3
Project
Microbial Community Engineering to Reduce Carbon and Nitrogen Footprints in Biomanufacturing

The research goal of this project is to establish model synthetic microbial communities to understand the rules regulating their biological function in order to utilize them as next generation bioproduction platforms capable of reducing carbon and nitrogen footprints in biomanufacturing processes.

Scientific Discovery
Biology

  1. Datasets

    2
English
People (2)
Margaret Cheung

Margaret S. Cheung is a biological physicist and a computational scientist on the Computing, Analytics, and Modeling team at EMSL. She graduated from the National Taiwan University in 1994 and went on to obtain a Ph.D. degree from the University of California at San Diego in 2003. She was then...

Pavlo Bohutskyi

Dr. Bohutskyi’s research focus is in developing new bioprocesses addressing sustainable transformation of carbon dioxide, biomass, and wet or liquid waste, including carbon, nitrogen, phosphorus, and other critical elements into bioproducts, chemicals, and fuels. This research uses a suite of...