The first program that makes conformational search results easy to use. What is Conformer? Conformer, the new Conformational Search and Analysis program for Chem3D combines conformational searching with sophisticated analysis tools. Conformer's Analysis Tools set it apart from other conformational search programs. An important feature of these tools is that they show how modifying a molecule affects the conformational properties of the unchanged portion. They will also help you identitfy conformational properties you can set about designing new experiments to explain, confirm, and extend your present research. Conformer will... Identify the global minimum and other low energy conformations of molecules - the ones that determine the experimental properties. It takes less than a minute of your time to identify the low energy conformations of a molecule and have them in Chem3D for further analysis. Make it easy to see how modifying a molecule affects the conformations of the unchanged part. Help you identify Conformation-Property relationships in easy to use tables and graphs, eliminating time-consuming analysis. Make it easy for you to make effective use of conformation search results for even complex molecules. Provide these capabilities in an easy to use, low cost software program that runs on both Macintosh and Windows. Conformer is seamlessly integrated with Chem3DTM Conformer is activated from a menu in Chem3DTM and the initial structure for the search is automatically obtained from Chem3DTM. The conformations found can be viewed in Chem3DTM via a double-click. Conformer used the same version of MM2 force field as Chem3DTM Related Molecule functionality helps you determine how a molecule's conformational preferences affects its properties Conformer combines information about the conformations of the molecules in a set of related molecules into a single table. This makes it easy to identify correlations between conformational properties and experimental properties. The example below shows how Moss et al were able to increase activity by about 30 times by controlling the conformation of the aspartic CH2-CO2H side chain in ribonucleotide reductase inhibitors derived from Peptide A.     Table: Calculated conformational energy (kJ) versus activity Inhibitor Activity (IC50 nM) Conf A Conf B Conf C R1= H R2= H 336 0.0 1.0 0.0 R1= Methyl R2= H 15 0.0 6.5 3.5 R1= H R2= Methyl 424 2.1 0.0 0.5 R1= Benzyl R2= H 19 0.0 7.4 3.6 R1= H R2= Benzyl 536 4.7 0.0 1.7 Inhibitors in which the side chain strongly prefers Conformation A are much more active. The more molecules you are working with, and the more limited your time, the more you need Conformer. By creating tables and graphs that are easy to understand and use, Conformer saves you considerable time and effort. Why do Conformational Searches? Advanced Analysis Tools

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