IMPROVING FUNCTIONALITY & USABILITY OF AMBER PROGRAM PACKAGE

我正在使用计算机图形实验室的设备， 帮助实施对Amber套件的修改和改进， 程序，并测试琥珀代码的修订版。 我是小学生 作者对广泛分布的Amber 5/UCSF计划，我继续 参与改进和调试程序。 特征 琥珀，我一直特别密切参与，包括核磁共振 细化，自由能计算，和接口前端， 安珀 我也参与了自由能的应用 通过自由能网格进行配体设计的方法。

I am using the facilities of the Computer Graphics Laboratory to help implement modifications and improvements to the Amber suite of programs, and to test revisions of the Amber code. I am a primary author on the widely distributed Amber5/UCSF program, and I continue to be involved with improving and debugging the program. Features of Amber that I have been particularly closely involved with include NMR refinement, free energy calculations, and the Interface front end to Amber. I have also been involved in applications of free energy methods to ligand design via free energy grids.