Hydrogen bond thermodynamics. Calculation of local and molecular physicochemical descriptors
Overview of HYBOT
HYBOT (HYdrogen BOnd Thermodynamics) is designed to aid chemists, biochemists, pharmacologists, physiologists and other specialists interested in hydrogen bonding phenomena.
HYBOT consists of three major components: (i) a database of over 13,500 thermodynamic measurements of hydrogen bonding systems, (ii) a H-bond factor database (about 60,000 entries), and (iii) a computer program that estimates H-bond factor values for compounds on the basis of their structures.
The HYBOT databases comprise several subdatabases called libraries.
You may use an existing library or create your own using HYBOT’s Structure Editor.
With HYBOT you have access to thermodynamic data to over 13,500 H-bond complexes.
With HYBOT you will be able to…
HYBOT consists of:
HYBOT in UNIX operates in the same way as HYBOT for Windows but only on the SYBYL platform. It lets one estimate H-bond factors, polarizabilities and partial atomic charges in very large compound databases.
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