AI-guided analysis assigns amino acid-level roles in protein design

With a newly developed method that compares AI-generated protein sequences with naturally occurring ones, function- and ...
Nature

Toward high-resolution computational design of the structure and function of helical membrane proteins

The fields of protein-structure prediction and protein design started after the elucidation of the principles that govern protein folding. After all, the ability to predict structure ab initio ...

Machine learning workflow enables faster, more reliable organic crystal structure prediction

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...
Science Daily

Proteins' Internal Motion Found To Affect Their Function: Implications For Drug Design

Penn investigators are the first to observe and measure the internal motion inside proteins, revealing how this affects their function. This overturns the standard view of protein structure-function ...
Princeton University

Using biomimetic polymers to understand and control sequence/structure/function relationships and achieve rational design of biomineralization

Peptoids, or n-substitued glycines, are complex and diverse oligomeric structures which have been explored for a number of biomimetic applications including drug delivery, surfactants, and catalysts.
EurekAlert!

Faster and more reliable crystal structure prediction of organic molecules

Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...