The pharmacophoric features their coordinates, generated by Pharmit server.

NIAID Data Ecosystem2026-05-02 收录

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https://figshare.com/articles/dataset/The_pharmacophoric_features_their_coordinates_generated_by_Pharmit_server_/27995588 数据链接链接失效反馈

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The pharmacophoric features their coordinates, generated by Pharmit server.

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2024-12-09

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

Applying Linear and Non-Linear Methods for Parallel Prediction of Volume of Distribution and Fraction of Unbound Drug

药代动力学预测

计算机辅助药物设计

Volume of distribution and fraction unbound are two key parameters in pharmacokinetics. The fraction unbound describes the portion of free drug in plasma that may extravasate, while volume of distribu

NIAID Data Ecosystem20

Computational design of Phe-Tyr dipeptide and preparation, characterization, cytotoxicity studies of Phe-Tyr dipeptide loaded PLGA nanoparticles for the treatment of hypertension

药物递送系统

计算机辅助药物设计

Phe-Tyr dipeptide which was investigated in Wakame food with greatest ACE-inhibitory activity is used as a pharmaceutical drug for the treatment of hypertension, cardiovascular diseases, and diabetic

Figshare2019-04-02 更新10

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

Rational Design of Inhibitors of Poxviral RNA Polymerase

抗病毒药物发现

计算机辅助药物设计

Poxviruses are large cytosolic DNA viruses with a propensity to cause zoonoses. They are present in animal reservoirs and responsible for a large spectrum of disorders, including human smallpox. Only

ESRF Portal2025-01-01 更新20

The pharmacophoric features their coordinates, generated by Pharmit server.

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