beikwx / sailVina_Linux
sailVina用于Linux的反向对接脚本
☆10Updated 4 years ago
Alternatives and similar repositories for sailVina_Linux
Users that are interested in sailVina_Linux are comparing it to the libraries listed below
Sorting:
- SailVina重构增强版☆90Updated last year
- An accurate and universal rigid receptor docking solution using Autodock Vina☆14Updated 5 months ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆76Updated last month
- A Consensus Docking Plugin for PyMOL☆72Updated 11 months ago
- For the purpose of post progressing of MD carried by gromacs☆22Updated last month
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆68Updated last month
- Metal binding prediction using coevolution☆19Updated last year
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆17Updated 3 months ago
- Google Colab notebooks for running molecular dynamics simulations with GROMACS☆31Updated last year
- Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicate…☆41Updated 9 months ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆94Updated 5 years ago
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆34Updated 3 weeks ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆44Updated 4 months ago
- Easy to get started with molecular dynamics simulation.☆55Updated this week
- AIDD Tutorial Files,人工智能药物设计教程相关文件☆14Updated 2 years ago
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆64Updated 2 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening☆95Updated 7 months ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆27Updated 5 months ago
- Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3☆27Updated 8 months ago
- A python package for computer-aid drug design.☆34Updated 8 months ago
- A command-line interface and Python library for generating AlphaFold3 input files.☆27Updated 3 weeks ago
- A Python script to map PDB ID + chain ID to UniProt ID.☆16Updated last year
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆39Updated 5 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- an integrated tool for molecular docking and virtual screening☆62Updated 8 months ago
- A heterogeneous OpenCL implementation of QuickVina2☆12Updated 2 years ago
- ☆25Updated this week
- Code and data used in https://doi.org/10.1101/2021.08.01.454656☆53Updated 3 years ago
- Set of useful HADDOCK utility scripts☆51Updated 8 months ago