A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

From computers to smartphones, from smart appliances to the internet itself, the technology we use every day only exists ...

A deep learning framework combines convolutional and bidirectional recurrent networks to improve protein function prediction from genomic sequences. By automating feature extraction and capturing long ...

Meshfree methods have emerged as a powerful alternative to traditional finite element approaches by eliminating the reliance on fixed meshes for domain discretisation. These techniques, which include ...

Back in the old days—the really old days—the task of designing materials was laborious. Investigators, over the course of ...

The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...

WEST LAFAYETTE, Ind. — With recent advances, cancer research now generates vast amounts of information. The data could help researchers detect patterns in cancer cells and stop their growth, but the ...

In collaboration with the International Conference on Research in Computational Molecular Biology (RECOMB), Genome Research publishes a collection of 20 computational methods and their applications in ...

Scientists at La Jolla Institute for Immunology (LJI) have developed a new computational method for linking molecular marks on our DNA to gene activity. Their work may help researchers connect genes ...