Simulation_data.zip

Name: Simulation_data.zip
Creator: Alanazi, Abdullah
Published: 2024-02-13T00:00:00+08:00

Figshare2024-02-13 更新2026-04-08 收录

计算机辅助药物设计

EGFR靶向药物

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https://figshare.com/articles/dataset/Simulation_data_zip/25215200/1 数据链接链接失效反馈

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资源简介：

Integration of pharmacophore-based virtual screening, molecular docking, ADMET analysis, and MD simulation for targeting EGFR: A comprehensive drug discovery study using commercial databases

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Alanazi, Abdullah

创建时间：

2024-02-13

Isolation and identification of anti-colorectal cancer peptides from walnut proteins and associated in silico analysis

生物医学研究

计算机辅助药物设计

raw data for Isolation and identification of anti-colorectal cancer peptides from walnut proteins and associated in silico analysis

Mendeley Data2024-01-31 更新80

Drug discovery and computational strategies in the multitarget drugs era

多靶点药物

计算机辅助药物设计

The pharmaceutical industry is increasingly joining chemoinformatics in the search for the development of new drugs to be used in the treatment of diseases. These computational studies have the advant

NIAID Data Ecosystem50

Comparative in silico physico-chemical properties and ADMET profile of LASSBio-1586 and the anti-inflammatory drugs indomethacin and meloxicam.

计算机辅助药物设计

抗炎药物研发

Comparative in silico physico-chemical properties and ADMET profile of LASSBio-1586 and the anti-inflammatory drugs indomethacin and meloxicam.

Figshare2018-07-30 更新30

From Cancer to Pain Target by Automated Selectivity Inversion of a Clinical Candidate

计算机辅助药物设计

抑制剂优化

Elimination of inadvertent binding is crucial for inhibitor design targeting conserved protein classes like kinases. Compounds in clinical trials provide a rich source for initiating drug design effor

NIAID Data Ecosystem50

Identification of novel potential inhibitors of varicella-zoster virus thymidine kinase from ethnopharmacologic relevant plants through an in-silico approach

抗病毒药物发现

计算机辅助药物设计

Although Varicella or chickenpox infection which is caused by the varicella-zoster virus (VZV) has significantly been managed through vaccination, it remains an infection that poses threats to the nea

Taylor & Francis Group2023-01-13 更新40

Simulation_data.zip

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