Re: Measuring void

[stoutepf(-(at)-)chemsci1.es.dupont.com (Pieter Stouten)]

 On Thu, 9 Sep 1993 18:12:23, Raymond Roskwitakski
 <rlr(-(at)-)acsu.buffalo.edu>
 wrote:
 >We have a hole (or void) in a protein which enters into the
 >active site. Would like to
 >determine its size quantatively,
 >
 Try out the all purpose modelling program WHAT IF that has an excellent
 cavity search module built in. One example where the cavity search worked
 beyond our expectations: we found a "hole" in the ras protein in the
 GTP
 state, which is exactly the right size for a tyrosine to move into, and we
 propose that that is exactly what happens upon hydrolysis of GTP to GDP.
 WHAT IF's author Gert Vriend can be reached at Vriend(-(at)-)EMBL-Heidelberg.DE.
 Hope this helps.
 Cheers, Pieter.
 Pieter Stouten, Senior Research Scientist    ||
 Computer Aided Drug Design Group             ||
 The Du Pont Merck Pharmaceutical Company     ||    Adventures get spoiled
 P.O. Box 80353, Wilmington, DE 19880-0353    ||   by being reduced to data
 Phone:   +1 (302) 695 3515                   ||             --
 Fax:     +1 (302) 695 2813                   ||        Poul Anderson
 ARA/Fax: +1 (302) 695 4324                   ||
 E-mail:  stoutepf(-(at)-)chemsci1.es.dupont.com     ||
 E-mail:  stoutepf(-(at)-)lldmpc.dnet.dupont.com     ||