2. AYESHA AFTAB MALIK
KHADIJA IJAZ
ZAHRA HANIF
DEPARTMENT OF BIOINFORMATICS AND TECHNOLOGY
INTERNATIONAL ISLAMIC UNIVERSITY ISLAMABAD
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3. RESEARCH PAPER DETAILS
• NAME: IVIEW: AN INTERACTIVE WEBGL VISUALIZER FOR PROTEIN-
LIGAND COMPLEX
• AUTHORS: HONG JIAN LI, KWONG-SAK LEUNG , TAKANORI NAKANE
AND MAN-HON WONG , DEPARTMENT OF COMPUTER SCIENCE AND
ENGINEERING, CHINESE UNIVERSITY OF HONG KONG, HONG KONG,
CHINA. 2GRADUATE SCHOOL OF MEDICINE, KYOTO,UNIVERSITY,
KYOTO, JAPAN.
• PUBLISHED IN: LI ET AL. BMC BIOINFORMATICS 2014
• 25 FEBRUARY 2014
• HTTP://WWW.BIOMEDCENTRAL.COM/1471-2105/15/56
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7. WHY VISUALIZATION TOOL IS
IMPORTANT?
PROTEIN-LIGAND COMPLEX PLAYS AN IMPORTANT
ROLE IN
• ELABORATING PROTEIN-LIGAND INTERACTIONS
•AIDING NOVEL DRUG DESIGN.
Free template from www.brainybetty.com 7
9. DRAWBACKS OF EXISTING
SOFTWARES
•SLOW SOFTWARE RENDERING
•LACK VIRTUAL REALITY SUPPORT.
•MACROMOLECULAR SURFACE CONSTRUCTION UNAVAILABLE.
•THE SUPPORT FOR PDBQT FORMAT IS NOT IMPLEMENTED.
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19. STRUCTURE COLORING
ATOM SPECTRUM
PROTEIN CHAIN
PROTEIN SECONDARY
STRUCTURE
B FACTOR
RESIDUE NAME
RESIDUE POLARITY
ATOM TYPE 4/18/2014 19
52. 4/18/2014 52
Figure shows the human CCR5 secondary structure
rendered as ribbon, and the ligands rendered as
sphere.
53. 4/18/2014 53
Figure shows the anaglyph effect in a virtual reality
environment. When users wear a spectacle with special
filters on both sides, the disparity between two superimposed
molecules creates a perception of depth, leading to
visually more appealing identification of intermolecular
interactions.
54. 4/18/2014 54
Figure shows the protein surface generated by our
JavaScript implementation of the EDTSurf algorithm.
The human CCR5 is rendered as molecular surface
colored by chain. The marketed HIV drug maraviroc is
rendered as stick colored by chain. It can be clearly seen
that the asymmetric unit is composed of two
complexes,and the CCR5 forms a deep allosteric cavity
where maraviroc binds.
55. 4/18/2014 55
successfully tested iview in:
Chrome 30,
Firefox 25
Safari 6.1
Opera 17.
Refer to http://caniuse.com/webgl, for compatibility of WebGL
support in desktop and mobile browsers.
57. 4/18/2014 57
Iview is designed and developed to :
•Be a simple & straightforward way to visualize
protein-ligand complex.
•enables non-experts to quickly elucidate protei-
ligand interactions in a 3D manner.
• be a free and open source
•Easily integrated into any bioinformatics
application that requires interactive protein-
ligand visualization
58. REFERENCES
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