Lybrand T P
University of Washington, Molecular Bioengineering Program, Seattle 98195, USA.
Curr Opin Struct Biol. 1995 Apr;5(2):224-8. doi: 10.1016/0959-440x(95)80080-8.
Over the past year there have been some interesting and significant advances in computer-based ligand-protein docking techniques and related rational drug-design tools, including flexible ligand docking and better estimation of binding free energies and solvation energies. As a result, the successful use of computational tools to help generate interesting new guide (lead) compounds for targeted receptors is becoming more commonplace.
在过去一年里，基于计算机的配体 - 蛋白质对接技术及相关合理药物设计工具取得了一些有趣且重大的进展，包括柔性配体对接以及对结合自由能和溶剂化能的更精确估计。因此，成功运用计算工具来帮助生成针对特定受体的有趣新先导化合物正变得越来越普遍。
