At the air-water interface, a negatively charged amino acid carries out a nucleophile attack on a gas molecule to convert it ...

Open Molecules 2025 is a landmark dataset of over 100 million quantum-level molecular simulations, developed by Meta and U.S.

In a collaborative effort, researchers at the University of Amsterdam and the HFML-FELIX institute in Nijmegen have been able ...

molecular dynamic (MD) simulation, and gene expression analysis. Gene enrichment analysis was also studied to understand the behaviour of neuraminidases in humans. Methods: Molecular docking was done ...

Based on a shell model potential obtained from first principles calculations, we performed molecular dynamics simulations to investigate the electromechanical response of a ferroelectric perovskite ...

Leiden Institute of Chemistry, Einsteinweg 55, Leiden 2333 CC, The Netherlands Centre for Microbial Cell Biology, Leiden University, Einsteinweg 55, Leiden 2333 CC, The Netherlands Centre for ...

Interdisciplinary Graduate Program in Quantitative Biosciences, Georgia Institute of Technology, Atlanta, Georgia 30332, United States School of Chemistry and Biochemistry, Georgia Institute of ...

Anthropic’s newly launched Claude Opus 4 model frequently tries to blackmail developers when they threaten to replace it with a new AI system and give it sensitive information about the ...

A view inside the trapped-ion quantum computer that carried out a first-of-its-kind simulation of molecular chemistry. 31,018 people played the daily Crossword recently. Can you solve it faster ...

Roche's Genentech is sticking with Orionis Biosciences, handing over $105 million upfront as part of its second deal with the molecular glue biotech. The latest multiyear collaboration will be ...

"Molecular dynamics simulations can mimic the experimental setup atom by atom and thus provide insights into processes that we cannot observe experimentally," explains Bert de Groot, research ...