Recent Publications

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Volkart PA et al. Cyclin-Dependent Kinase 2 in Cellular Senescence and Cancer. A Structural and Functional Review. Curr Drug Targets. 2018.

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de Ávila MB et al.. Structural Basis for Inhibition of Enoyl-[Acyl Carrier Protein] Reductase (InhA) from Mycobacterium tuberculosis. Curr Med Chem 2018.

 

 

Editorships

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Frontiers Section Editor (Bioinformatics and Biophysics) for the Current Drug Targets ISSN: 1873-5592

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Section Editor (Bioinformatics in Drug Design and Discovery) for the Current Medicinal Chemistry ISSN: 1875-533X

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Member of the Editorial Board for the PeerJ ISSN: 2167-8359

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Member of the Editorial Board for the Current Bioinformatics ISSN: 2212-392X (Online) ISSN: 1574-8936 (Print)

 

Research

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Protein-Ligand Interacions

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Molecular Docking

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Bioinspired Computing

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Computational Systems Biology

 

Python Programming Language for Bioinformatics  

-Docking Root Mean Square Deviation (RMSD) in Python   ZIP          

      Crystallographic position and pose for docking simulation.


-B-factor Plot in Python   ZIP    

 

             B-factor plot generated by bfactor_plot.py  .


Dihedral Angle in Python   ZIP        

         Orthogonal system for calculation of torsion angle.   


- Ramachandran Plot in Python   ZIP     

                     Ramachandran plot for 1KXY