Repositories list

• NRGSuite-Qt

  Public
  Python

  •0•1•0•0•Updated Jan 30, 2025Jan 30, 2025

• NRGRank

  Public
  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Jan 27, 2025Jan 27, 2025

• Surfaces

  Public
  Python

  •4•12•0•1•Updated Jun 12, 2024Jun 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.

  Jupyter Notebook

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Jan 17, 2024Jan 17, 2024

• nrglab.github.io

  Public
  HTML

  •0•0•0•0•Updated Jul 15, 2023Jul 15, 2023

• NRGsuite

  Public
  NRGsuite is a PyMOL plugin (GUI) for FlexAID

  pymol-pluginprotein-ligand-dockingprotein-ligand-interactions+ 1molecular-docking

  Python

  •7•3•0•0•Updated Jul 7, 2023Jul 7, 2023

• FlexAID

  Public
  Flexible Artificial Intelligence Docking

  protein-ligand-dockingdockingligand-screening+ 4protein-ligand-interactionsprotein-ligand-binding-conformationprotein-ligand-interfacesmolecular-docking

  C

  •

  Apache License 2.0

  •11•17•0•1•Updated Aug 23, 2021Aug 23, 2021

• HTS_LargeScaleDocking

  Public
  Perl

  •2•0•0•0•Updated Feb 15, 2021Feb 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.

  C

  •1•2•0•0•Updated Jan 30, 2020Jan 30, 2020

• GetPDBseq

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

  Perl

  •1•1•0•0•Updated Jan 30, 2020Jan 30, 2020

• Process_Ligand

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

  C++

  •1•3•0•0•Updated Mar 28, 2019Mar 28, 2019

• Get_Cleft

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

  C

  •5•4•0•0•Updated Jan 17, 2019Jan 17, 2019

• ENCoM

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

  protein-structureconformational-analysisnormal-modes+ 1normal-mode-analysis

  C

  •7•13•0•0•Updated Jul 29, 2017Jul 29, 2017

• IsoMif

  Public
  IsoMif Development

  C++

  •8•8•0•1•Updated Jul 21, 2016Jul 21, 2016