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Related Experiment Video

Updated: Mar 15, 2026

Modeling an Enzyme Active Site using Molecular Visualization Freeware

Modeling an Enzyme Active Site using Molecular Visualization Freeware

Published on: December 25, 2021

Open source molecular modeling.

Somayeh Pirhadi¹, Jocelyn Sunseri², David Ryan Koes²

¹Young Researchers and Elites Club, Science and Research Branch, Islamic Azad University, Tehran, Iran.

Journal of Molecular Graphics & Modelling

|September 16, 2016

Summary

This summary is machine-generated.

This review categorizes and describes open source software for molecular modeling and computational chemistry. Discover free, extendable tools to advance your research in computational science.

Keywords:

Cheminformatics Molecular modeling Open source Software

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Area of Science:

Computational chemistry
Molecular modeling
Open source software development

Background:

The efficacy of molecular modeling and computational chemistry is contingent upon high-quality software.
Open source software offers significant benefits, including cost-free access and extensibility for users.

Purpose of the Study:

To systematically categorize, enumerate, and describe available open source software packages for molecular modeling and computational chemistry.
To provide a comprehensive resource for researchers seeking open source solutions in the field.

Main Methods:

Literature review and cataloging of existing open source software.
Categorization based on functionality and application within molecular modeling and computational chemistry.

Main Results:

A curated list of open source software packages relevant to molecular modeling and computational chemistry.
Detailed descriptions and categorization of each software package.

Conclusions:

Open source software represents a valuable and accessible resource for the molecular modeling and computational chemistry community.
The availability of free and extendable tools can accelerate research and innovation in computational science.