Target-ligand binding affinity from single point enthalpy calculation and elemental composition

Name: Target-ligand binding affinity from single point enthalpy calculation and elemental composition
Creator: Pharmacoinformatics Unit, Department of Pharmacology and Pharmacotherapy, Medical School, University of Pécs, Szigeti út 12, 7624 Pécs, Hungary
Published: 2023-10-30T00:00:00+08:00

Zenodo2023-10-30 更新2026-04-07 收录

药物结合亲和力预测

计算化学

数据链接：

https://zenodo.org/doi/10.5281/zenodo.10055343 数据链接链接失效反馈

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资源简介：

This repository contains supporting files for the manuscript entitled: Target-ligand binding affinity from single point enthalpy calculation and elemental composition.

提供机构：

Pharmacoinformatics Unit, Department of Pharmacology and Pharmacotherapy, Medical School, University of Pécs, Szigeti út 12, 7624 Pécs, Hungary

创建时间：

2023-10-30