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<p align="center"> <img width="400" src="assets/logo.svg" alt="logo of the awesome series of repositories maintained by Nianzu Yang"> </p> <h1 align="center"><b>Awesome-Molecular-Docking</b></h1> <p align="center"> <a href="https://awesome.re"><img src="https://awesome.re/badge.svg" alt="awesome"></a> <a href="https://github.com/Thinklab-SJTU/awesome-molecular-docking/pulls"><img src="https://img.shields.io/badge/PRs-Welcome-yellow" alt="PRs"></a> <a href="https://github.com/Thinklab-SJTU/awesome-molecular-docking/blob/master/LICENSE"><img alt="License" src="https://img.shields.io/github/license/Thinklab-SJTU/awesome-molecular-docking?color=green"></a> <a href="https://github.com/Thinklab-SJTU/awesome-molecular-docking/stargazers"><img src="https://img.shields.io/github/stars/Thinklab-SJTU/awesome-molecular-docking?color=red&label=Star" alt="Stars"></a> <!-- <a href="https://yangnianzu0515.github.io/"><img src="https://img.shields.io/badge/Nianzu-Yang-blue" alt="MyWebsite"></a> --> </p>

We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.

We will update this repository regularly. :sunglasses:

If you want to add related works to this repository, please feel free to contact me via yangnianzu@sjtu.edu.cn.

Welcome to contribute to this repository! :clap:

<br> <details> <summary><b><font size='8'>Table of Contents</font></b><font size='4'>&emsp;👈 <i>click here to unfold the outlines</i></font></summary> </details> <br> <!-- ## Table of Contents - [Table of Contents](#table-of-contents) - [Related Survey](#related-survey) - [Dataset](#dataset) - [Software for Docking](#software-for-docking) - [Molecule-Protein Docking](#molecule-protein-docking) - [Protein-Protein Docking](#protein-protein-docking) - [Molecular Dynamics Simulation](#molecular-dynamics-simulation) - [Binding Site Identification](#binding-site-identification) -->

Related Survey

Dataset

Software for Docking

<!-- [[Paper]()][[Code]()] -->

Molecule-Protein Docking

Protein-Protein Docking

Antibody Design

Molecular Dynamics Simulation

Binding Site Identification

See Also