A DFT and Semiempirical Model-Based Study of Opioid Receptor Affinity and Selectivity in a Group of Molecules with a Morphine Structural Core

<table>Left side: part of the original matrix data for atom <svg height="11.4625" id="M203" style="vertical-align:-0.1638pt" version="1.1" viewbox="0 0 4.7624998 11.4625" width="4.7624998" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,11.2)"><path d="M244 607q0 -25 -15.5 -43t-37.5 -18q-19 0 -32 13t-13 35q0 21 15 41t39 20q20 0 32 -14t12 -34zM222 91q-29 -33 -79 -68t-75 -35q-13 0 -19 7.5t-6 31t10 65.5l62 253q5 26 -1 26q-21 0 -72 -43l-13 24q43 40 91 68t71 28q30 0 10 -78l-71 -274q-8 -30 3 -30
q16 0 76 48z" id="x1D456"></path></g>
</svg> built from Figure <a href="../fig3/">3</a>. Right side: part of the final matrix data for atom <svg height="11.4625" id="M204" style="vertical-align:-0.1638pt" version="1.1" viewbox="0 0 4.7624998 11.4625" width="4.7624998" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,11.2)"><path d="M244 607q0 -25 -15.5 -43t-37.5 -18q-19 0 -32 13t-13 35q0 21 15 41t39 20q20 0 32 -14t12 -34zM222 91q-29 -33 -79 -68t-75 -35q-13 0 -19 7.5t-6 31t10 65.5l62 253q5 26 -1 26q-21 0 -72 -43l-13 24q43 40 91 68t71 28q30 0 10 -78l-71 -274q-8 -30 3 -30
q16 0 76 48z" id="x1D456"></path></g>
</svg> containing only nonzero values.</table>

International Journal of Medicinal Chemistry

fig4

Figure 4

Figure 4: A DFT and Semiempirical Model-Based Study of Opioid Receptor Affinity and Selectivity in a Group of Molecules with a Morphine Structural Core 

Figure 4 | A DFT and Semiempirical Model-Based Study of Opioid Receptor Affinity and Selectivity in a Group of Molecules with a Morphine Structural Core 