Abstract：
:Virtual screening consists of using computational tools to predict potentially bioactive compounds from files containing large libraries of small molecules. Virtual screening is becoming increasingly popular in the field of drug discovery as in silico techniques are continuously being developed, improved, and made available. As most of these techniques are easy to use, both private and public organizations apply virtual screening methodologies to save resources in the laboratory. However, it is often the case that the techniques implemented in virtual screening workflows are restricted to those that the research team knows. Moreover, although the software is often easy to use, each methodology has a series of drawbacks that should be avoided so that false results or artifacts are not produced. Here, we review the most common methodologies used in virtual screening workflows in order to both introduce the inexperienced researcher to new methodologies and advise the experienced researcher on how to prevent common mistakes and the improper usage of virtual screening methodologies.
journal_name
Int J Mol Scijournal_title
International journal of molecular sciencesauthors
Gimeno A,Ojeda-Montes MJ,Tomás-Hernández S,Cereto-Massagué A,Beltrán-Debón R,Mulero M,Pujadas G,Garcia-Vallvé Sdoi
10.3390/ijms20061375subject
Has Abstractpub_date
2019-03-19 00:00:00issue
6issn
1422-0067pii
ijms20061375journal_volume
20pub_type
杂志文章,评审abstract：:Gelam honey exerts anti-inflammatory and antioxidant activities and is thought to have potent effects in reducing infections and healing wounds. The aim of this study was to investigate the effects of intravenously-injected Gelam honey in protecting organs from lethal doses of lipopolysaccharide (LPS). Six groups of r...
journal_title：International journal of molecular sciences
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journal_title：International journal of molecular sciences
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更新日期：2019-09-18 00:00:00
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