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 ...

A paper published in Biology Methods and Protocols, indicates that a new computational method may help researchers identify ...

Organized by Scientific Explore Publications and coordinated from Madurai, Tamil Nadu, ICCMMAS 2025 featured technical ...

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 ...

A research team led by Yuuki Kubo and Shiji Tsuneyuki from the University of Tokyo has developed an innovative computational method to efficiently determine the crystal structures of multiphase ...

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 ...

Researchers at Memorial Sloan Kettering Cancer Center (MSK) have developed a new open-source computational method, dubbed Spectra, which improves the analysis of single-cell transcriptomic data. By ...

Survival Outcomes of Patients With Tropomyosin Receptor Kinase Fusion-Positive Cancer Receiving Larotrectinib Versus Standard of Care: A Matching-Adjusted Indirect Comparison Using Real-World Data ...

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 ...