Subject: Software for Hydrophobicity, Indices, 3D Lattice

From: "Dr. David N. Haney" <[email-masked]>
Date: Thu, 6 Aug 1998 16:11:17 -0700 (PDT)

eduSoft, LC provides unique computational chemistry functionality interfaced
to standard molecular modeling packages (Insight, Sybyl, Chem-X).  HINT
is a standard in logP and hydrophobicity and hydropathic interactions
evaluation.  Molconn-Z is a standard for generating molecular indices used for
QSAR.  A new program HASL, will become available shortly that offers unique 3D
lattice functionality for QSAR problems.

HINT ###################
-calculates logP and graphs 3D hydrophobicity: useful in drug database screens
-constructs complementary maps of hydrophobicity: useful to refine drug design
-contains functionality for scoring and visualizing ligand/inhibitor docking
-calculates errors in PBD structures and predicts stability of mutants

Molconn-Z ##############
-calculates molecular connectivity, shape, e-state, and information indices
-environment allows data to be used with PLS, component and other analyses
-useful for similarity analysis in database searching

HASL ###################
-deconvolutes complex 3D problem by assigning values to a 3D lattice
-used in 3D QSAR for DHFR, glutamine syntase, HIV protease
-useful in analysing experimental data and predicting results of new drugs

For more information please contact me, Dr. David N. Haney, at [email-masked],
or take a look at the web site ####  http://www.eslc.vabiotech.com/ ####

-- 
    **************  David N. Haney, Ph.D.    ********************
    *  Haney Associates               Phone - 206-232-1401      *
    *  4212 93rd Ave SE                 FAX - 206-236-5268      *
    *  Mercer Island, WA 98040        Email - [email-masked]   *
    *                                                           *
    **************  http://www.hbond.com/    ********************