About ChemServer

What ChemServer is

ChemServer puts the standard open source programs of structure based drug design behind one web interface. You load a protein, add ligands and start a run. Docking with AutoDock Vina, Vina-GPU and GNINA, protein repair, virtual screening, format conversion, RDKit descriptors, pocket analysis and 3D viewing are available to every account. Molecular dynamics and DFT calculations are done on request.

The programs are run as released by their authors. Every download contains a methods file that names the programs and versions behind your result, and How to cite your results lists their references.

Who runs it

ChemServer is an independent project run by one developer with a background in pharmaceutical chemistry. It is not owned by or affiliated with a company, a university or a software vendor. The usage numbers on the home page come from the real job counter of the server.

Questions, bug reports and requests go to one place: chris@chemserver.online. Messages are answered personally, normally within a day or two.

How it works

A small web server holds the website, your account and your files. The heavy calculations run on separate compute servers that are attached when they are needed. Your job is sent there over an encrypted connection, runs, and its results are copied back to your account folder in My Files. You can close the browser while a run is going and collect the results later.

What it costs

The tools described on this site are free. An account needs an email address, a username and a password. There is no card form anywhere on ChemServer and nobody from ChemServer will ever ask you for payment details or for your password by email. If you receive such a message, it is not from us.

Why a website checker may rate a new site low

Automatic website rating tools weigh the age of a domain and the number of visitors. ChemServer is a young domain with a small audience, so such tools can show a low score even though nothing is wrong. You do not have to take our word for it. You can check the following yourself.

• Open the sample docking report, a real run of erlotinib back into EGFR with the files to download and repeat.
• Read the privacy policy and the terms of use, which say what is stored and for how long.
• See the programs and references behind every result.
• Write to chris@chemserver.online and see that a person answers.

Software behind ChemServer

AutoDock Vina, Vina-GPU, GNINA, AutoDock Tools (MGLTools), Meeko, Open Babel, RDKit, PDBFixer, OpenMM, ProLIF, 3Dmol.js and PyMOL. These belong to their authors and keep their own licences. Please cite them when you publish.