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Bio & Medicine Dec 1, 2022

Nanotech strategy shows promise for treating autoimmune disease

Scientists at Scripps Research have reported success in initial tests of a new, nanotech-based strategy against autoimmune diseases.

Biochemistry Dec 1, 2022

Integrated platform promises to accelerate drug discovery process

Many successful drugs have their origins in natural sources such as plants, fungi, and bacteria, but screening natural products to identify potential drugs remains a difficult undertaking.

Biochemistry Nov 30, 2022

Researchers build powerful model for discovering new drugs

Researchers have developed a new computer framework that holds promise in the work to discover new drugs. Their framework uses an artificial intelligence method called a convolutional neural network to provide global information ...

Analytical Chemistry Nov 29, 2022

Quantum algorithm of the direct calculation of energy derivatives developed for molecular geometry optimization

In recent years, research and development on quantum computers has made considerable progress. Quantum chemical calculations for electronic structures of atoms and molecules are attracting great attention as one of the most ...

Analytical Chemistry Nov 28, 2022

Math approach may make drug discovery more effective, efficient

Researchers at The University of Texas at Dallas and Novartis Pharmaceuticals Corp. have devised a computer-based platform for drug discovery that could make the process more effective, more efficient and less costly.

Molecular & Computational biology Nov 21, 2022

Molecular motion of proteins reveals previously unseen binding sites that could be targets for new drug molecules

Some of the toughest challenges in treating disease are presented by "undruggable" proteins whose structures and roles in disease are known but are seemingly unable to be targeted by drugs that will bind to them. Researchers ...

Plants & Animals Nov 17, 2022

Chemical defenses may not protect Antarctic seafloor animals, jeopardizing their value for drug discovery

Long-lived sponges, intestine-like worms, colonies of sea squirts and many other cold-loving animals populate the seafloor around Antarctica. But the arrival of outsiders—borne in ships' ballast water, on plastic refuse ...

Analytical Chemistry Nov 17, 2022

The world's largest quantum chemistry dataset to empower new materials design and drug discovery

Predicting the properties of an object is a most natural task for machine learning (ML) algorithms, and molecules or crystals are not an exception. Every drug discovery or materials design pipeline depends on the ability ...

Other Nov 17, 2022

Drug discovery and development—in space

Carrying out scientific experiments in space allows scientists to study and make drugs without gravity, which can lead to surprising results that improve research back on Earth. According to a cover story in Chemical & Engineering ...

Biochemistry Nov 16, 2022

Can AI transform the way we discover new drugs?

The world's aging population, the growing burden of chronic and infectious diseases, and the emergence of novel pathogens have made the need for new treatments more urgent than ever. Yet, discovering a new drug and bringing ...

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