tiwarylab / kinase_AloopLinks
☆10Updated last year
Alternatives and similar repositories for kinase_Aloop
Users that are interested in kinase_Aloop are comparing it to the libraries listed below
Sorting:
- ☆15Updated 3 years ago
- LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories☆12Updated 2 years ago
- We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU appr…☆16Updated last year
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆40Updated this week
- The OpenMM Cookbook and Tutorials☆46Updated last year
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 4 years ago
- Weighted Ensemble Data Analysis and Plotting☆24Updated last month
- Contributed and additional nodes for maize☆15Updated 3 months ago
- Machine learning accelerated docking screens☆56Updated 6 months ago
- ☆37Updated 10 months ago
- ☆16Updated 2 months ago
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆45Updated 3 weeks ago
- A collection of notebooks and scripts for the prediction of follow-up compounds in☆11Updated 7 months ago
- Useful Collective Variables for OpenMM☆13Updated last year
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆40Updated 2 weeks ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆24Updated 4 years ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 2 years ago
- The Automated Protein-Protein Free Energy tooL (APPFEL.py) is designed to calculate the affinity of any protein-protein complex starting …☆10Updated last year
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆20Updated last year
- ☆65Updated last year
- ☆26Updated 2 years ago
- ☆37Updated last year
- Simulation-Enabled Estimation of Kinetic Rates - Version 2☆29Updated 4 months ago
- ☆16Updated 2 years ago
- ☆16Updated 11 months ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆17Updated last year
- A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM☆50Updated last month
- ☆19Updated 6 years ago
- Converts AlphaFold distograms into distance matrices and saves them into a number of formats☆12Updated 2 years ago
- ☆68Updated last year