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虚拟筛选:更大是否总是更好?还是小也可以很美?

Virtual Screening: Is Bigger Always Better? Or Can Small Be Beautiful?

机构信息

Charles River, 6-9 Spire Green Centre, Harlow, Essex CM19 5TR, United Kingdom.

出版信息

J Chem Inf Model. 2020 Sep 28;60(9):4120-4123. doi: 10.1021/acs.jcim.0c00101. Epub 2020 May 28.

DOI:10.1021/acs.jcim.0c00101
PMID:32463232
Abstract

This viewpoint is intended to counterbalance some recent publications describing large-scale virtual screening by illustrating how success in launching drug discovery projects has been achieved with much more modest resources. Two examples of small-scale virtual screening that led to the discovery of clinical candidates are cited in favor of this argument.

摘要

这种观点旨在平衡一些最近描述大规模虚拟筛选的出版物,通过举例说明如何用更适度的资源成功启动药物发现项目。为了支持这一观点,引用了两个小规模虚拟筛选的例子,这些例子导致了临床候选药物的发现。

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