C-H•••O and other weak hydrogen bonds.: From crystal engineering to virtual screening
C-H•••O and other weak hydrogen bonds.: From crystal engineering to virtual screening
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DOI：
10.1039/b504372g
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发表时间：
2005-01-01
影响因子：
4.9
通讯作者：
Desiraju, GR
中科院分区：
文献类型：
--
作者：
Desiraju, GR
氢键，X-H（...）由弱施主（X = C）和受主（A = π系统）形成的A在20世纪70年代以前甚至在70年代期间通常被认为是微不足道的。这种情况在20世纪80年代初发生了变化，在接下来的20年里，它们在许多小分子晶体结构和溶液中都有重要意义。今天，关于这些相互作用的知识被用来理解生物分子的结构，并对基于结构的药物设计产生影响。
Hydrogen bonds, X - H(...)A, formed by weak donors (X = C) and acceptors (A = pi system) were generally dismissed as being of little consequence before and even during the 1970s. This situation changed in the early 1980s, and during the two following decades they were implicated as being significant in many small molecule crystal structures, and also in solution. Today, knowledge gained about these interactions is being used to understand the structure of biomolecules with implications for structure based drug design.