This python package aims to help people set up and analyze molecular dynamics simulations in aqueous-organic solvent mixtures. See D. Alvarez-Garcia et al. Journal of Medicinal Chemistry, 2014.

Project Samples

Solvent mixture Protein in solvent mixture Ligand and energy grid maps

Project Activity

See All Activity >

Categories

Simulation, Chemistry, Molecular Mechanics

License

GNU General Public License version 3.0 (GPLv3)

Follow pyMDMix

pyMDMix Web Site

Other Useful Business Software
Get Avast Free Antivirus | Your top-rated shield against malware and online scams Icon
Get Avast Free Antivirus | Your top-rated shield against malware and online scams

Boost your PC's defense against cyberthreats and web-based scams.

Our antivirus software scans for security and performance issues and helps you to fix them instantly. It also protects you in real time by analyzing unknown files before they reach your desktop PC or laptop — all for free.
Free Download
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of pyMDMix!

Additional Project Details

Intended Audience

Science/Research

Programming Language

Python

Related Categories

Python Simulation Software, Python Chemistry Software, Python Molecular Mechanics Software

Registered

2013-07-16
Report inappropriate content