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AstexViewer: a visualisation aid for structure-based drug design.

Michael J Hartshorn¹

¹Astex Technology Ltd., 436 Cambridge Science Park, Milton Road, Cambridge, CB5 9QA, UK. m.hartshorn@astex-technology.com

Journal of Computer-Aided Molecular Design

|June 27, 2003

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AstexViewer is a free Java molecular graphics program for visualizing drug design structures. It runs as a web browser applet, simplifying access for researchers in structure-based drug design.

Area of Science:

Computational chemistry
Structural biology
Drug discovery

Background:

Structure-based drug design (SBDD) requires effective molecular visualization tools.
Existing software may necessitate complex installations, limiting accessibility.

Purpose of the Study:

Introduce AstexViewer, a Java-based molecular graphics program.
Detail its functionality, implementation, and applications in SBDD.
Highlight its accessibility as a web browser applet.

Main Methods:

Developed as a Java program.
Designed to function as a web browser applet.
Demonstrated through examples of its application in SBDD.

Main Results:

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AstexViewer provides visualization capabilities for SBDD.
Its applet format allows immediate use without software installation.
The program serves as a valuable tool for structure-based design platforms.

Conclusions:

AstexViewer offers a user-friendly and accessible solution for molecular visualization in drug design.
The free availability of AstexViewer promotes its adoption within the research community.