Just a random thought. I found myself reacting negatively to yet another 'landscape' paper, or atlas of this or that. And realized that hundreds of years ago, maps were untried and misunderstood representations, that users did not know how to interpret, and yet were first steps on a characterization of physical space that was truly revolutionary. Funny that in modern molecular biology, we borrow the terms from mapmaking. It is on me to learn the information that these new representations of data are bringing. I suddenly feel better about the deluge of molecular data. Hoorah for the mapmakers!
#structuralbiology #molecularmodeling #genomics

Posting artwork from 2020 around here. Just protein eye candy, a portrait of the Human Sliding Clamp -Proliferating cell nuclear antigen or PCNA. The PDB is 5MLO. #sciart #blender #proteina #scientificillustration #molecularmodeling

One deep learning model that I want to try is this one from deepmind
https://www.deepmind.com/blog/simulating-matter-on-the-quantum-scale-with-ai

This is a DL model which tries to enhance DFT calculations on molecules in terms of delocalization and spin symmetry-breaking.

Seems quite interesting 🤔

#quantumchemistry #machinelearning #deeplearning #DFT #molecularmodeling #computationalchemistry #molecularsimulation