[1] Docking Software Vina

Trott, O., & Olson, A. J. (2010). AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of computational chemistry, 31(2), 455-461.

Chicago


[2] Similarity Software WEGA

Yan, X., Li, J., Liu, Z., Zheng, M., Ge, H., & Xu, J. (2013). Enhancing molecular shape comparison by weighted Gaussian functions. Journal of chemical information and modeling, 53(8), 1967-1978.


[3] Similarity Software SHAFT

A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening


[4] Molecualr Pictures Obtain With Pymol

The PyMOL Molecular Graphics System, Version 1.7.4 Schrödinger, LLC.


[5] Software used to convert molecules OpenBabel

N M O'Boyle, M Banck, C A James, C Morley, T Vandermeersch, and G R Hutchison. "Open Babel: An open chemical toolbox." J. Cheminf. (2011), 3, 33. DOI:10.1186/1758-2946-3-33


[6] Image Molecule query generated by MolConvert, Chemaxon

http://www.chemaxon.com


[7] Interacitons 2D diagrams PoseView

Stierand, K., Rarey, M. (2010) Drawing the PDB: Protein‚ąíLigand Complexes in Two Dimensions. Medicinal Chemistry Letters, 1 (9), 540-545.


[8] Diagram 3D Jsmol

http://wiki.jmol.org/index.php/JSmol


[9] ZINC IDs

http://zinc15.docking.org/


[10] ChemBL IDs

https://www.ebi.ac.uk/chembl/


[11] PubChem

https://pubchem.ncbi.nlm.nih.gov


[12] Drugbank

http://www.drugbank.ca/


[13]Interactions diagram 3D Plip

https://projects.biotec.tu-dresden.de/plip-web/plip/index

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