Showing 4 open source projects for "easydock vina 2"

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  • 1

    AutoDockParser

    A tool for efficient processing of Docking results

    AutoDock Suit is one of the most popular software for performing Molecular Docking and Virtual Screening. This suit offers two programs AutoDock and AutoDock Vina. AutoDock provides its output as Docking Log Files (DLG files), while the latter outputs in pdbqt format. Post-processing of these results has long remained a manual job and hence various protocols and workflows are designed that are user-specific. Manual processing of these results for subsequent interaction analysis has remained a time-consuming and apparently mundane task. ...
    Downloads: 2 This Week
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  • 2
    PSOVina 2.0

    PSOVina 2.0

    The Hybrid Particle Swarm Optimization for Protein-Ligand Docking

    A fast docking tool based on the efficient optimization algorithm of Particle Swarm Intelligence and the framework of AutoDock Vina. Based on the initial PSO implementation, our PSOVina method has undergone several important improvements to enhance the docking accuary and achieve remarkable efficiency as compared to the original AutoDock Vina. https://cbbio.online/software/psovina/index.html
    Downloads: 4 This Week
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  • 3
    AutoDock Vina 1.1.2 - 64-bit

    AutoDock Vina 1.1.2 - 64-bit

    Compilation of AutoDock Vina 1.1.2 for x86_64 system CentOS 6.7.

    Utilizing opensource code of AutoDock Vina 1.1.2 by Dr. Oleg Trott, a working binaries for vina and vina_split are provided. These files can be helpful to those who are not very familiar with building source codes on Linux machines. Since the original compilation of vina stopped working after some system configuration changes on a supercomputer, I had to solve the problem by building the program from the source code. The most difficult problem was to find compatible 64-bit math libraries...
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    Downloads: 261 This Week
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  • 4

    Autmated Peptide Screening

    Screening peptides for MHC and/or MHC-T cell receptor affinity

    Modified version of AutoGrow, autogrow.ucsd.edu/ , with a mutation script added in the class files, and a global change of the defined mutation point from Hydrogen atoms to Calphas, to allow placement of Amino Acids. Deposited are 3 versions, used for my PhD Thesis. These allow for mutation of short 2-15 amino acid peptides, and associated screening of these using AutoDock or AutoDock Vina, allowing for 8 CPU systems to screen 10K peptides a day or 1-2K with flexible residues added in. A detailed method for determining the peptide ligand for any sequenced and modeled T cell receptor will be published and link added at some point. ...
    Downloads: 0 This Week
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