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Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets

机译：基于药理学的虚拟筛选与基于对接的虚拟筛选：针对八个目标的基准比较

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摘要

Aim:This study was conducted to compare the efficiencies of two virtual screening approaches, pharmacophore-based virtual screening (PBVS) and docking-based virtual screening (DBVS) methods.

机译：目的：进行这项研究以比较两种虚拟筛选方法（基于药效团的虚拟筛选（PBVS）和基于对接的虚拟筛选（DBVS）方法）的效率。

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期刊名称 Acta Pharmacologica Sinica
作者
Zhi Chen; Hong-lin Li; Qi-jun Zhang; Xiao-guang Bao; Kun-qian Yu; Xiao-min Luo; Wei-liang Zhu; Hua-liang Jiang;
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作者单位

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年(卷),期 2009(30),12
年度 2009
页码 1694–1708
总页数 15
原文格式 PDF
正文语种
中图分类药学;
关键词
pharmacophore docking LigandScout enrichment hit rate;

机译：药效团;对接;配体侦察;富集;命中率;

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专利

1. Pharmacophore-based virtual screening versus docking-based virtual screening： a benchmark comparison against eight targets [J] . Zhi CHEN, Hong-lin LI, Qi-jun ZHANG, 中国药理学报：英文版 . 2009,第012期

机译：基于药理学的虚拟筛选与基于对接的虚拟筛选：针对八个目标的基准比较
2. Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets [J] . Zhi CHEN, Hong-lin LI, Qi-jun ZHANG, 中国药理学报：英文版 . 2009,第012期

机译：基于药理学的虚拟筛选与基于对接的虚拟筛选：针对八个目标的基准比较
3. Discovery of novel androgen receptor antagonists: a hybrid approach of pharmacophore-based and docking-based virtual screening [J] . Liu Jianzhen, Liu Bo, Guo Guangzhu, Anti-cancer drugs . 2015,第7期

机译：新型雄激素受体拮抗剂的发现：基于药效团和基于对接的虚拟筛选的混合方法
4. Pharmacophore-based virtual screening and molecular docking simulation of terpenoid compounds as the inhibitor of sonic hedgehog protein for colorectal cancer therapy [C] . Mega Maulina Ekawati, Mochammad Arfin FardiansyahNasution, Syafrida Siregar Joint Conference on Chemistry . 2019

机译：基于药物的虚拟筛选和三萜类化合物的分子对接模拟作为结肠直肠癌治疗的声波刺猬蛋白抑制剂
5. Combating Hepatitis B Virus by Targeting DNA Polymerase Computational Insights into Resistance Development and Search for Novel Inhibitors by Virtual Screening. [D] . Daga, Pankaj R. 2010

机译：通过靶向DNA聚合酶的抗药性开发来对抗乙型肝炎病毒，并通过虚拟筛选寻找新型抑制剂。
6. Ligand-Based and Docking-Based Virtual Screening of MDM2 Inhibitors as Potent Anticancer Agents [O] . Bing-Hui Li, Jun-Qi Ge, Ya-Li Wang, 2021

机译：基于配体和基于对接的基于对接的MDM2抑制剂的虚拟筛选是有效的抗癌剂
7. Docking-based virtual screening studies aiming at the covalent inhibition of SARS-CoV-2 MPro by targeting the cysteine 145 [O] . Laurent Soulère, Thibaut Barbier, Yves Queneau 2021

机译：基于对接的虚拟筛选研究，旨在通过靶向半胱氨酸145的SARS-COV-2 MPRO的共价抑制
8. Postdeployment Behavioral Health Screening: Face-to-Face Versus Virtual Behavioral Health Interviews. [R] . Sipos, M. L., Foran, H. M., Crane, M. L., 2012

机译：部署后行为健康筛查：面对面与虚拟行为健康访谈。

Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets

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