Molecular Modeling and Computational Chemistry

此奖项授予加州大学欧文分校，以支持菲尔莫尔·弗里曼教授的职业发展活动。弗里曼教授的研究主要是实验性的，他将在加州大学洛杉矶分校的秋季学期学习分子建模和计算化学方面的专业知识，师从Kendall Houk教授。PI将学习建模程序的基本原理，包括ALCHEMY III， AM-1, INSIGHT/DISCOVER, MACCS-3D, MM3， PCMODEL， SPARTAN和GAUSSIAN92。回到UCI后，他将把这些计算程序应用于他目前的研究兴趣：邻二硫化物、叠氮二烯的Diels-Alder反应、c -核苷抗病毒和1,3-偶极环加成。这项职业发展奖将使PI了解分子和量子力学的范围和局限性，并使他能够将其应用于当前的研究领域，并将他的兴趣扩展到生物技术，肽化学和计算机辅助药物设计。他在计算化学方面的知识对他的本科生和研究生也会有帮助。

This award is made to the Universiy of California at Irvine in support of the career advancement activities of Professor Fillmore Freeman. Professor Freeman, whose research has been largely experimental, will spend the Fall Quarter at UCLA acquiring expertise in molecular modeling and computational chemistry under the tutelage of Professor Kendall Houk. The PI will learn the fundamental principles of modeling programs including ALCHEMY III, AM-1, INSIGHT/DISCOVER, MACCS-3D, MM3, PCMODEL, SPARTAN and GAUSSIAN92. Upon his return to UCI, he will apply these computational programs to his current research interests on vicinal-disulfoxides, Diels-Alder reactions of azadienes, C-nucleosides as antivirals, and 1,3-dipolar cycloadditions. %%% This career advancement award will enable the PI to learn the scope and limitations of molecular and quantum mechanics and allow him to apply them to current research areas as well as broaden his interests into biotechnology, peptide chemistry and computer-aided drug design. His knowledge of computational chemistry will also be of benefit to his undergraduate and graduate students.