Software for Hydrophobicity, Indices, 3D Lattice
- From: "Dr. David N. Haney" <haney #*at*#
netcom.com>
- Subject: Software for Hydrophobicity, Indices, 3D Lattice
- 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 haney #*at*#
hbond.com,
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 - haney #*at*# hbond.com *
* *
************** http://www.hbond.com/ ********************