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Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-Based Pose Scoring and Physical Force Field-Based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening

机译：化学信息学符合分子力学：基于知识的姿势评分和基于物理力的命中评分功能的组合应用提高了基于结构的虚拟筛选的准确性

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Jui-Hua Hsieh; Shuangye Yin; Xiang S. Wang; Shubin Liu; Nikolay V. Dokholyan; Alexander Tropsha;
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年度 2011
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1. Cheminformatics meets molecular mechanics: A combined application of knowledge-based pose scoring and physical force field-based hit scoring functions improves the accuracy of structure-based virtual screening [J] . Hsieh J.-H., Yin S., Wang X.S., Journal of chemical information and modeling . 2012,第1期

机译：化学信息学与分子力学相遇：基于知识的姿势评分和基于物理力场的命中评分功能的组合应用提高了基于结构的虚拟筛选的准确性
2. Combined application of cheminformatics- and physical force field-based scoring functions improves binding affinity prediction for CSAR data sets [J] . Hsieh J.-H., Yin S., Liu S., Journal of chemical information and modeling . 2011,第9期

机译：基于化学信息学和物理力场的评分功能的组合应用可改善CSAR数据集的结合亲和力预测
3. MedusaScore: An accurate force field-based scoring function for virtual drug screening [J] . Yin S, Biedermannova L, Vondrasek J, Journal of chemical information and modeling . 2008,第8期

机译：MedusaScore：基于力场的准确评分功能，用于虚拟药物筛选
4. Evaluation of Scoring Functions for Large Scale Application of Virtual Screening in the Identification of Novel Beta-Lactamase Inhibitors [C] . Tatiana F. Vieira, Rita P. Magalhaes, Nuno M. F. S. A. Cerqueira, . 2019

机译：虚拟筛选在鉴定新型β-内酰胺酶抑制剂中的大规模应用评分功能的评估
5. Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-based Pose Scoring and Physical Force Field-based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening [O] . Jui-Hua Hsieh, Shuangye Yin, Xiang S. Wang, -1

机译：化学信息学会见分子力学：基于知识的姿势评分和基于现场的物理力命中评分功能的组合应用提高基于结构的虚拟筛选的准确性
6. MedusaScore: an accurate force field-based scoring function for virtual drug screening [O] . Shuangye Yin, Lada Biedermannova, Jiri Vondrasek, 2013

机译：medusascore：用于虚拟药物筛选的准确的基于力场的评分函数

Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-Based Pose Scoring and Physical Force Field-Based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening

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