liedllab / surface_analyses
Scores for Hydrophobicity and Charges based on SASAs
☆29Updated 2 weeks ago
Alternatives and similar repositories for surface_analyses:
Users that are interested in surface_analyses are comparing it to the libraries listed below
- scripts to find PBD structures for cancer driver proteins☆31Updated this week
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated 2 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 4 months ago
- PyDock Tutorial☆30Updated 6 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆27Updated 3 weeks ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆17Updated last year
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆26Updated 10 months ago
- Extension of ThermoMPNN for double mutant predictions☆24Updated last month
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆29Updated 10 months ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆23Updated 4 months ago
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆38Updated last week
- ☆31Updated last year
- ☆41Updated 5 months ago
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆36Updated 2 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆23Updated 2 weeks ago
- ☆86Updated last year
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆26Updated last year
- development repository for PyInteraph2☆22Updated 2 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆28Updated 2 weeks ago
- Fully automated high-throughput MD pipeline☆54Updated this week
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆21Updated 2 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆49Updated 3 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆38Updated 9 months ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆17Updated 7 months ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆22Updated last year
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆67Updated 5 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆41Updated 2 months ago
- Efficient manipulation of protein structures in Python☆51Updated 3 months ago