Showing 6 open source projects for "journal"

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  • 1
    MzDOCK - Multiple Ligand Docking Tool

    MzDOCK - Multiple Ligand Docking Tool

    MzDOCK is A Virtual Screening Tool For Drug Discovery Research

    - Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research. - Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries .
    Downloads: 54 This Week
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  • 2
    KMC-KaiC

    KMC-KaiC

    Kinetic Monte Carlo simulation of the in-vitro Kai Circadian clock

    ...The application of the code is described in our article titled "A Thermodynamically consistent model of the post-translational Kai circadian clock", which is freely available at the open access journal PLOS Computational Biology: https://doi.org/10.1371/journal.pcbi.1005415 *UPDATE* We made a fully reversible version of our model, including the inverse reactions for ATP hydrolysis. This makes it possible to run the model at thermodynamic equilibrium. This version of the model can be downloaded under KMC_KaiC_Rev.zip. ...
    Downloads: 0 This Week
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  • 3

    RElt

    calculates overlap, kinetic integrals for numerical atomic orbitals.

    ...The exemplary results were obtained by application of the adaptive Gauss quadrature. The implemented algorithm is described in my paper: "Numerical calculation of overlap and kinetic integrals in prolate spheroidal coordinates", International Journal of Quantum Chemistry, Volume 108, Issue 2, Year 2008, Pages 249–256 http://onlinelibrary.wiley.com/doi/10.1002/qua.21485/full
    Downloads: 0 This Week
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  • 4

    Cambridge Rocketry Simulator

    Simulate high power rocket flights with splash down plots

    ...Running in Monte Carlo mode allows generates multiple possible flight paths and splash down plots, indicating the probability of landing in an area. Peer-reviewed publication in the Journal of Open Research Software (JORS) http://doi.org/10.5334/jors.137 "Cambridge Rocketry Simulator – A Stochastic Six-Degrees-of-Freedom Rocket Flight Simulator"
    Downloads: 4 This Week
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  • 5
    pyMDMix

    pyMDMix

    Molecular dynamics with aqueous-organic solvent mixtures

    This python package aims to help people set up and analyze molecular dynamics simulations in aqueous-organic solvent mixtures. See D. Alvarez-Garcia et al. Journal of Medicinal Chemistry, 2014.
    Downloads: 1 This Week
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  • 6

    Simulation of hydrodynamic lubrication

    Simulation of hydrodynamic lubrication.

    Simulation of hydrodynamic lubrication in infinitely long journal bearing with oscillating journal velocity. It calculates and stores the various system variable in separate files.
    Downloads: 0 This Week
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