tristanic / isoldeLinks
Interactive molecular dynamics based model building into low-resolution crystallographic and cryo-EM maps
☆38Updated last month
Alternatives and similar repositories for isolde
Users that are interested in isolde are comparing it to the libraries listed below
Sorting:
- qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.☆45Updated last week
- Modeling with limited data☆59Updated 2 months ago
- ☆71Updated 3 months ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated 2 months ago
- Analysis of non-covalent interactions in MD trajectories☆61Updated 8 months ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆128Updated 2 years ago
- Protein and nucleic acid validation service☆86Updated last year
- Simple protein-ligand complex simulation with OpenMM☆87Updated 2 years ago
- Useful aliases and startup settings for ChimeraX☆33Updated 2 months ago
- Force Fields☆65Updated 7 months ago
- Calculation of interatomic interactions in molecular structures☆106Updated last year
- ☆34Updated 11 months ago
- ☆56Updated 2 years ago
- A Python package to generate free energy landscape (FEL) of molecular dynamics (MD) trajectory obtained from GROMACS. It also extracts th…☆13Updated 5 months ago
- ☆69Updated last year
- FreeSASA Python Module☆56Updated last month
- From cryo-EM density map to atomic structure☆32Updated last month
- Random Acceleration Molecular Dynamics in GROMACS☆39Updated last year
- An application for configuring and running simulations with OpenMM☆73Updated last month
- Trusted force field files for gromacs☆58Updated 10 months ago
- mdml: Deep Learning for Molecular Simulations☆47Updated 4 months ago
- ☆45Updated 4 months ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆45Updated last year
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated 4 months ago
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆115Updated 10 months ago
- rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…☆58Updated 6 months ago
- Material from papers from KULL centre☆69Updated last year
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆65Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 3 months ago
- Force fields in various formats☆26Updated last year