More than a hundred experts in molecular simulation have published a paper in the journal Nature Methods calling for a paradigm shift in molecular dynamics data management.

School of Information, Guizhou University of Finance and Economics, University City of Huaxi District, Guiyang, Guizhou 550025, PR China Guizhou Provincial Key Laboratory of Computational ...

Center for Nanotubes and Nanostructured Composites, Sungkyunkwan University, Suwon 16419, Republic of Korea School of Mechanical Engineering, Sungkyunkwan University, Suwon 16419, Republic of Korea ...

GenMarket is a modular, multi-layer generative market simulation framework designed to evaluate trading strategies and market impact under synthetic yet realistic conditions. It combines macro regime ...

The authors use a combination of structural and MD simulation approaches to characterize phospholipid interactions with the pentameric ligand-gated ion channel, GLIC. The general agreement between ...

Then, molecular dynamics simulations were used to confirm the stability of the glycyrrhizin-transgelin-2 complex from a dynamic perspective, and the hydrophilic domains of glycyrrhizin was found to ...

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