Najmanovich Research Group

NRGlab

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

Canada

https://nrglab.github.io/index.html

Najmanovich Research Group's repositories

FlexAID

Flexible Artificial Intelligence Docking

Language:CApache-2.015 40

ENCoM

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

Language:C12 40

Surfaces

Language:Python1100

IsoMif

IsoMif Development

Language:C++7 20

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.

Language:C4 40

NRGsuite

NRGsuite is a PyMOL plugin (GUI) for FlexAID

Language:Python3 40

Process_Ligand

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

Language:C++3 40

Vcontacts

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.

Language:C2 50

GetPDBseq

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

Language:Perl1 40

HTS_LargeScaleDocking

Language:Perl000

nrglab.github.io

Language:HTML000

MOR_DynaSig-ML

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

Language:Jupyter NotebookGPL-3.0000