Abstract: Molecular property prediction holds significant importance in the fields of cheminformatics and drug discovery. Current modeling paradigms used for molecular representation mainly rely on 1D ...

In his decades-long career in tech journalism, Dennis has written about nearly every type of hardware and software. He was a founding editor of Ziff Davis’ Computer Select in the 1990s, senior ...

In his decades-long career in tech journalism, Dennis has written about nearly every type of hardware and software. He was a founding editor of Ziff Davis’ Computer Select in the 1990s, senior ...

The Nature Index 2025 Research Leaders — previously known as Annual Tables — reveal the leading institutions and countries/territories in the natural and health sciences, according to their output in ...

T cells form one of the key pillars of adaptive immunity. Using their surface bound T cell antigen receptors (TCRs), these cells screen millions of antigens presented by major histocompatibility ...

Predicting protein conformational changes remains a crucial challenge in computational biology and artificial intelligence. Breakthroughs achieved by deep learning, such as AlphaFold2, have moved the ...

(Nanowerk News) Researchers at Tokyo Institute of Technology for the first time discovered the selective generation of three types of structural isomers (a set of different nanostructures with an ...

Abstract: Accurate prediction of ligand-bound conformations in protein-ligand complexes only from ligand information is expected to be useful in drug design. In this study, we compared the ...

ABSTRACT: It has been shown by 1H and 13C NMR spectroscopy that 2-mercaptobenzoyl-hydrazones of aliphatic and aromatic aldehydes exist in solution as tautomeric mixtures of linear and cyclic benzo-1,3 ...