Molecular simulations show how drugs block key receptors

Many pharmaceuticals work by targeting what are known as 'G-protein-coupled receptors.' In a new study, scientists from Uppsala University describe how they have been able to predict how special molecules that can be used ...

Viewing dopamine receptors in their native habitat

Dopamine, a chemical that sends messages between different parts of the brain and body, plays a key role in a variety of diseases and behaviors by interacting with receptors on cells. But despite their importance in physiology ...

Hidden symmetry found in chemical kinetic equations

Rice University researchers have discovered a hidden symmetry in the chemical kinetic equations scientists have long used to model and study many of the chemical processes essential for life.

Engineers model mutations causing drug resistance

Whether it is a drug-resistant strain of bacteria, or cancer cells that no longer react to the drugs intended to kill them, diverse mutations make cells resistant to chemicals, and "second generation" approaches are needed. ...

Designing and repurposing cell receptors

EPFL scientists have developed a computational method modeling and designing protein allostery that allows the accurate and rational engineering and even repurposing of cell receptors. The method can be a significant tool ...

Designing biological movement on the nanometer scale

Synthetic proteins have been created that move in response to their environment in predictable and tunable ways. These motile molecules were designed from scratch on computers, then produced inside living cells.

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