Who am I?
I am a postdoc working in computational drug design.
When I started, good tutorials on computational chemistry were hard to find. Most of what was out there was scattered and confusing. I made this blog to be the resource I wish I’d had back then.
Thanks for visiting!
The GROMACS guide
My complete GROMACS guide takes you from a PDB file to a fully analysed simulation, with all the input files and scripts included. If you buy it, you can email me your questions as you work through it.
Contact
Found a mistake in an article, or want to say hi? Email me at info@compchems.com.
CompChems is a blog about Computational Chemistry