Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Example of 3D structure of the modeled conjugates. The 3D models were built with SYBYL X1.1, and energy optimized with semi-empirical MO PM3. The conformational search with MOE2011.10 with stochastic Monte Carlo and Molecular Dynamics results in various conformations for all conjugates examined. Only some example for compound 2, 6 and 7 are shown in the figure.
