基于结构的设计中的限制假设：结合熵。
Limiting assumptions in structure-based design: binding entropy.
机构信息
Department of Biochemistry and Molecular Biophysics, Washington University, St. Louis, MO, USA.
出版信息
J Comput Aided Mol Des. 2012 Jan;26(1):3-8. doi: 10.1007/s10822-011-9494-1. Epub 2012 Jan 3.
Abstract
In order to deal with the complexity of biological systems at the atomic level, limiting assumptions are often made which do not reflect the reality of the system under study. One example is the assumption that the entropy of binding of the macromolecule is not influenced significantly by the different ligands. Recent experimental data on ligands binding to HIV-1 protease challenge this assumption.
摘要
为了处理原子水平上生物系统的复杂性，通常会做出一些限制假设，这些假设不能反映研究中系统的实际情况。一个例子是假设大分子的结合熵不受不同配体的显著影响。最近关于配体结合 HIV-1 蛋白酶的实验数据挑战了这一假设。
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