https://github.com/biomat-usp-rp/parameters-for-simulation-of-lipid-a-membranes-p.-aeruginosa-
https://github.com/biomat-usp-rp/parameters-for-simulation-of-lipid-a-membranes-p.-aeruginosa-
Science Score: 26.0%
This score indicates how likely this project is to be science-related based on various indicators:
-
○CITATION.cff file
-
✓codemeta.json file
Found codemeta.json file -
○.zenodo.json file
-
✓DOI references
Found 1 DOI reference(s) in README -
○Academic publication links
-
○Academic email domains
-
○Institutional organization owner
-
○JOSS paper metadata
-
○Scientific vocabulary similarity
Low similarity (5.0%) to scientific vocabulary
Repository
Basic Info
- Host: GitHub
- Owner: BioMat-USP-RP
- Default Branch: main
- Size: 20.5 KB
Statistics
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
- Releases: 0
Metadata Files
README.md
Parameters-for-simulation-of-Lipid-A-membranes-P.-aeruginosa-
This file contains the topologies and coordinates of Lipid A (hexa- and pentaacylated species) for Pseudomonas aeruginosa bacteria. The force field is a extension of the GROMOS force field combined with the 45a4 carbohydrate parameter set and are in the GROMACS format of topologies. These files are expected to be error-free, but please do check them for errors. If you find any issue please drop us an email. If you make use of the topologies and/or atomic coordinates for you research, please cite Frederico J. S. Pontes , Victor H. Rusu , Thereza A. Soares, and Roberto D. Lins. Journal Chem. Theory Compu.(2012), v. 8 (10), p. 3830–3838 DOI: 10.1021/ct300084v"
Owner
- Name: BioMat USP
- Login: BioMat-USP-RP
- Kind: user
- Location: University of São Paulo, campus Ribeirão Preto, Brazil
- Website: https://www.biomatsite.net/
- Repositories: 1
- Profile: https://github.com/BioMat-USP-RP
BioMat@usp develops computational tools for atomic-level biomolecular studies, focusing on multiscale simulations, parameterization, and SuAVE software.