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大多数化学和生物化学反应或过程是在溶液中进行的,分子溶液构象的研究具有重要意义[1,2].测定分子溶液构象的实验手段主要是核磁共振(ＮＭＲ),但ＮＭＲ方法受实验因素的限制,所测定的分子比较有限;即使由ＮＭＲ得到ＮＯＥ等实验数据,最后也必须借助分子模拟的方法才能将分子溶
Most chemical and biochemical reactions or processes are carried out in solution and the study of the conformation of molecular solutions is of great importance.1,2 The experimental means of determining the conformation of molecular solutions are mainly nuclear magnetic resonance (NMR) Factor limited, the determination of the molecule is more limited; even obtained by the NMR NOE and other experimental data, the last must also rely on molecular modeling methods to the molecular solution