# MolModa: accessible and secure molecular docking in a web browser

## TL;DR

MolModa is a web-based tool that makes molecular docking more accessible and secure, helping researchers in drug discovery without needing specialized software.

## Contribution

MolModa introduces a secure and user-friendly web-based platform for molecular docking, enabling broader accessibility and usability.

## Key findings

- MolModa allows users to perform molecular docking entirely in a web browser, improving usability and accessibility.
- Case studies demonstrate that MolModa provides valuable biological insights for drug discovery.
- MolModa is freely available for both academic and commercial use without requiring login or registration.

## Abstract

Molecular docking advances early-stage drug discovery by predicting the geometries and affinities of small-molecule compounds bound to drug-target receptors, predictions that researchers can leverage in prioritizing drug candidates for experimental testing. Unfortunately, existing docking tools often suffer from poor usability, data security, and maintainability, limiting broader adoption. Additionally, the complexity of the docking process, which requires users to execute a series of specialized steps, often poses a substantial barrier for non-expert users. Here, we introduce MolModa, a secure, accessible environment where users can perform molecular docking entirely in their web browsers. We provide two case studies that illustrate how MolModa provides valuable biological insights. We further compare MolModa to other docking tools to highlight its strengths and limitations. MolModa is available free of charge for academic and commercial use, without login or registration, at https://durrantlab.com/molmoda.

Graphical Abstract