ANNOUNCE: FTDOCK, a new molecular docking program

Henry Gabb gabb at icrf.icnet.uk
Wed Sep 10 11:44:09 EST 1997


Announcing FTDOCK (v1.0), a program for biomolecular docking using shape
complementarity and electrostatics. FTDOCK was developed under Irix
(versions 5.3 and 6.2) but should run on any UNIX computer.

FTDOCK docks two rigid molecules using the shape correlation algorithm
of Katchalski-Katzir and coworkers plus a compatible electrostatics
function developed in this laboratory. We have tested FTDOCK on several
protein-protein systems with good results. This work is described in
Gabb HA, Jackson RM, and Sternberg MJE, "Modelling protein docking using
shape complementarity, electrostatics, and biochemical information." J
Mol Biol (1997), 272, 106-120.

FTDOCK is available free-of-charge to academic and non-profit
researchers. Commercial users should contact either Dr Diane Wilcock
(d.wilcock at icrf.icnet.uk) or Mr Martin Ryan (m.ryan at icrf.icnet.uk) of
Imperial Cancer Research Technology. The program source code and
user-manual can be downloaded from:

http://www.icnet.uk/bmm/ftdock/ftdock.html


---
Henry Gabb
Biomolecular Modelling Laboratory
Imperial Cancer Research Fund
44 Lincoln's Inn Fields
London WC2A 3PX
United Kingdom

Tel: +44-171-269-3348
Fax: +44-171-269-3258




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