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Najmanovich Research Group

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

11 followers
Canada
https://nrglab.github.io/index.html
@RNajmanovich
rafael.najmanovich@umontreal.ca

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FlexAID FlexAID Public

Flexible Artificial Intelligence Docking

C 15 11
ENCoM ENCoM Public

Forked from vince1589/encom

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

C 12 6
Surfaces Surfaces Public

Python 11 3
IsoMif IsoMif Public

Forked from mtthchrtr/IsoMif

IsoMif Development

C++ 7 4
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
NRGsuite NRGsuite Public

Forked from lmorency/NRGsuite

NRGsuite is a PyMOL plugin (GUI) for FlexAID

Python 3 3

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Showing 10 of 12 repositories

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 0 GPL-3.0 0 0 0 Updated Jan 17, 2024
Surfaces Public

Python 11 3 0 1 Updated Oct 11, 2023
nrglab.github.io Public

HTML 0 0 0 0 Updated Jul 15, 2023
NRGsuite Public Forked from lmorency/NRGsuite
NRGsuite is a PyMOL plugin (GUI) for FlexAID

Python 3 8 0 0 Updated Jul 7, 2023
FlexAID Public
Flexible Artificial Intelligence Docking

C 15 Apache-2.0 11 0 1 Updated Aug 23, 2021
HTS_LargeScaleDocking Public Forked from padideee/High-Throughput-Simulation

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.

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

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.

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.

C 4 5 0 0 Updated Jan 17, 2019

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