Latest News

  • Q-AMOEBA

    Published On: octobre 22, 2022

    New paper published in the Journal of Physical Chemistry B: Improving Condensed-Phase Water Dynamics with Explicit Nuclear Quantum Effects: The Polarizable Q-AMOEBA Force Field. [...]

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  • New website

    Published On: octobre 15, 2022

    Tinker-HP's new website is now launched. It will gather the various ressources dedicated to Tinker-HP. We will keep it updated with new manuals, tutorials and [...]

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  • Tinker-HP GPU version available on GitHub

    Published On: octobre 15, 2022

    Tinker-HP is now available on NVIDIA GPUs!!! It enables to perform multi-GPUs/multi-nodes simulations with various force fields and neural network (Deep-HP interface). The reference [...]

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  • Tinker-HP fighting against the COVID-19

    Published On: septembre 21, 2020

    15.14 Mics SARS_Cov2 Protease data - Full trajectory: AMOEBA_15mics_sampling You can find here our data representing 15.14-microsecond AMOEBA simulation of the apo enzyme started from the [...]

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Latest Tweet

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The Tinker Molecular Modeling Package: Tinker & Tinker-HP. Developer-Friendly | Free | Polarizable FFs & #HPC Ready. Tweets: @jppiquem @prenbme J. W. Ponder

TINKERtoolsMD
14 Mar

Happy to see that @Thomas__Ple's beautiful artwork for the Quantum-HP nuclear quantum effects simulation platform made it to the JCTC (back) COVER @JCIM_JCTC !!! #compchem #HPC #supercomputing https://pubs.acs.org/doi/10.1021/acs.jctc.2c01233
#compchem

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