journal={Briefings in Bioinformatics}, year={2023} } @article{liu2022improved, title={Improved drug--target interaction prediction with intermolecular graph transformer}, author={Liu, Siyuan and Wang, ...

In the wake of AI, unprecedented demand for data and computing power is outstripping capabilities. This will drive the ...

The SAFT-𝛾-Mie formalism is an attractive source of simulation parameters as it offers a means to directly link the intermolecular potential with thermodynamic properties. This application has the ...

Chemistry World welcomes letters, which should be concise (normally fewer than 300 words) and timely. Those selected for publication are subject to editing for clarity and length. Letters should be ...

Here the authors use machine-learning photodynamics to show competing charge-transfer-mediated and coherent mechanisms driven by different intermolecular ... study the interaction energies between ...

Genetic interaction is the phenomenon where the effects of one gene are modified by one or several other genes. Zhu et al. explore the relationship between dietary factors and multidimensional ...