rlabduke / reference_dataLinks
This repository contains reference data from the Richardson Lab at Duke.
☆13Updated 2 years ago
Alternatives and similar repositories for reference_data
Users that are interested in reference_data are comparing it to the libraries listed below
Sorting:
- Interactive molecular dynamics based model building into low-resolution crystallographic and cryo-EM maps☆39Updated 2 months ago
- Modeling with limited data☆59Updated 3 months ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆66Updated 4 years ago
- qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.☆45Updated 2 weeks ago
- ☆74Updated 2 weeks ago
- ☆57Updated 2 years ago
- ☆69Updated last year
- View proteins and trajectories in the terminal☆111Updated 5 years ago
- ☆34Updated last year
- Calculation of interatomic interactions in molecular structures☆109Updated last year
- Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling☆34Updated 2 weeks ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated this week
- Analysis of non-covalent interactions in MD trajectories☆63Updated 9 months ago
- ☆45Updated this week
- Machine learning experiments for CheckMyBlob☆13Updated 7 years ago
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆51Updated 5 months ago
- Best practice document for alchemical free energy calculations going to livecoms journal☆78Updated 3 weeks ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards☆44Updated 4 years ago
- Protein and nucleic acid validation service☆89Updated last year
- ☆39Updated last year
- ☆63Updated last week
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆132Updated 2 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆68Updated last year
- ☆44Updated 3 years ago
- Force Fields☆66Updated 9 months ago
- Force fields in various formats☆26Updated last year
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated 5 months ago
- FreeSASA Python Module☆57Updated 2 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆61Updated last month