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Najmanovich Research Group's Projects

encom icon encom

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

flexaid icon flexaid

Flexible Artificial Intelligence Docking

get_cleft icon 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.

getpdbseq icon getpdbseq

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

mor_dynasig-ml icon 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.

nrgsuite icon nrgsuite

NRGsuite is a PyMOL plugin (GUI) for FlexAID

process_ligand icon process_ligand

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

vcontacts icon 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.

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