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@NRGlab

Najmanovich Research Group

Computational Systems and structural Pharmacology at the Department of Pharmacology & Physiology, Faculty of Medicine, Université de Montréal

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  1. FlexAID FlexAID Public

    Flexible Artificial Intelligence Docking

    C 15 11

  2. ENCoM ENCoM Public

    Forked from vince1589/encom

    Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)

    C 12 6

  3. Surfaces Surfaces Public

    Python 11 4

  4. IsoMif IsoMif Public

    Forked from mtthchrtr/IsoMif

    IsoMif Development

    C++ 7 4

  5. Get_Cleft Get_Cleft Public

    Forked from lmorency/Get_Cleft

    The Get_Cleft program detects cavities in PDB-formated macromolecular structure models. It is based on the Surfnet algorithm of Laskowski et al.

    C 4 3

  6. NRGsuite NRGsuite Public

    Forked from lmorency/NRGsuite

    NRGsuite is a PyMOL plugin (GUI) for FlexAID

    Python 3 3

Repositories

Showing 10 of 12 repositories
  • Surfaces Public
    NRGlab/Surfaces’s past year of commit activity
    Python 11 4 0 1 Updated Jun 12, 2024
  • MOR_DynaSig-ML Public

    A Jupyter notebook allowing readers of the Galdino et al. (2024) article to train their own predictive ENCoM ES models with DynaSig-ML.

    NRGlab/MOR_DynaSig-ML’s past year of commit activity
    Jupyter Notebook 0 GPL-3.0 0 0 0 Updated Jan 17, 2024
  • nrglab.github.io Public
    NRGlab/nrglab.github.io’s past year of commit activity
    HTML 0 0 0 0 Updated Jul 15, 2023
  • NRGsuite Public Forked from lmorency/NRGsuite

    NRGsuite is a PyMOL plugin (GUI) for FlexAID

    NRGlab/NRGsuite’s past year of commit activity
    Python 3 8 0 0 Updated Jul 7, 2023
  • FlexAID Public

    Flexible Artificial Intelligence Docking

    NRGlab/FlexAID’s past year of commit activity
    C 15 Apache-2.0 11 0 1 Updated Aug 23, 2021
  • HTS_LargeScaleDocking Public Forked from padideee/High-Throughput-Simulation
    NRGlab/HTS_LargeScaleDocking’s past year of commit activity
    Perl 0 2 0 0 Updated Feb 15, 2021
  • Vcontacts Public

    The method calculates the planes of contact the center atom makes will each atom in the contact list, then determines the points of intersection of the planes and intersections with a sphere.

    NRGlab/Vcontacts’s past year of commit activity
    C 2 1 0 0 Updated Jan 30, 2020
  • GetPDBseq Public

    GetPDBSeq.pl is a Perl script to extract sequence information from a PDB file

    NRGlab/GetPDBseq’s past year of commit activity
    Perl 1 1 0 0 Updated Jan 30, 2020
  • Process_Ligand Public

    Ligand and target files processing software to prepare the files needed for FlexAID.

    NRGlab/Process_Ligand’s past year of commit activity
    C++ 3 1 0 0 Updated Mar 28, 2019
  • Get_Cleft Public Forked from lmorency/Get_Cleft

    The Get_Cleft program detects cavities in PDB-formated macromolecular structure models. It is based on the Surfnet algorithm of Laskowski et al.

    NRGlab/Get_Cleft’s past year of commit activity
    C 4 5 0 0 Updated Jan 17, 2019
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