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3D-QSAR of angiotensin-converting enzyme and thermolysin inhibitors: a comparison of CoMFA models based on deduced and experimentally determined active site geometries

https://doi.org/10.1021/ja00066a004
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将潜因多元建模技术与遗传虚拟筛选模式相结合: 改善定量构效关系
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Machine Learning Methods for Life Sciences: Intelligent Data Analysis in Bio- and Chemoinformatics
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Natural flavonoid derivatives as oral human epidermoid carcinoma cell inhibitors
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An overview of recent developments in GPCR modelling: methods and validation
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In Silicon Design of Antimicrobial Oligopeptides Based on 3D-QSAR Modelling and Bioassay Evaluation
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Quantitative Structure-activity Relationship (QSAR) in Studying the Biologically Active Molecules
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Structure-Based Drug Design Approaches for Predicting Binding Affinities of Hiv1 Protease Inhibitors
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Optimization study with ligand-design interval rules
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Quantitative Structure Activity Relationship Analysis of N-(mercaptoalkanoyl)- and [(acylthio)alkanoyl] Glycine Derivatives as ACE Inhibitors
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Theoretical Study on Hydrophobicity of Amino Acids by the Solvation Free Energy Density Model
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Towards Understanding Drugs on the Molecular Level to Design Drugs of Desired Profiles
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