by Ken Chiacchia | Sep 2, 2020 | Science Highlights
Anton 2 Simulations Kick off Drug Safety Prediction Pipeline Many possibly useful drugs are abandoned because they increase the QT interval of the heartbeat. This is because QT prolongation can cause life-threatening side effects. But not all QT-prolonging drugs are...
by Ken Chiacchia | Sep 2, 2020 | Science Highlights
Combination of Bridges and Anton 2 Allows Team to Span Time Scales in Simulating Dagger-Like Microbe-Killing Molecule Medical science is in a race to develop new and better antimicrobial agents to address infection and other human diseases. One promising example of...
by Ken Chiacchia | Sep 2, 2020 | Science Highlights
Introducing Experimental Data into Molecular Simulations on Bridges Improves Predictions of Metallic Glass Structure Metallic glass has great strength and flexibility and can be engineered for specific uses. These properties make it useful for medical devices,...
by Ken Chiacchia | Sep 2, 2020 | Science Highlights
Bridges Refines Protein Simulations, Approaching Lab Accuracy To understand how the tiny machinery of life works in health and disease, scientists need accurate pictures of how proteins fold and move. But laboratory methods for imaging proteins are slow, and so the...
by Ken Chiacchia | Mar 19, 2020 | Science Highlights
Nonidentical Twins Anton 2 Simulations Show Curious Difference in Action of Paired Neurotransmitters The NMDA receptor protein underlies memory formation. It’s also an important target of drugs for conditions as different as depression, Alzheimer’s disease and...
by Ken Chiacchia | Mar 19, 2020 | Science Highlights
Picking Up the Beat Anton 2 Helps Identify Unexpected Pathway for Irregular-Heartbeat Drugs Irregular heartbeat—arrhythmia—causes a lot of sickness and death in the U.S. Some medications can treat arrhythmia, but they carry potentially serious side effects....
