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3D-QSAR predictions for α-cyclodextrin binding constants using quantum mechanically based descriptors
Lukas Linden, Kai‐Uwe Goss, Satoshi Endo
Helmholtz Centre for Environmental Research Martin Luther University Halle-Wittenberg Osaka City University
来源Chemosphere
年份2016
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计算机 / AIComputational Drug Discovery Methods
Analytical Chemistry and Chromatography · Protein Structure and Dynamics
参考文献 48
Molecular Similarity in Drug Design
被引 295P. M. Dean · 1995
COSMOsim3D: 3D-Similarity and Alignment Based on COSMO Polarization Charge Densities
被引 23Michael Thormann, Andreas Klamt, Karin Wichmann · Journal of Chemical Information and Modeling · 2012
GRID/CPCA: A New Computational Tool To Design Selective Ligands
被引 184Mika A. Kastenholz, Manuel Pastor, Gabriele Cruciani · Journal of Medicinal Chemistry · 2000
此处列出前 3 条
引用本文 13
Modeling Exposure in the Tox21 in Vitro Bioassays
被引 135Fabian C. Fischer, Luise Henneberger, Maria König · Chemical Research in Toxicology · 2017
Computational Methods for the Interaction between Cyclodextrins and Natural Compounds: Technology, Benefits, Limitations, and Trends
被引 43Botian Ding, Yuandong Yu, Sheng Geng · Journal of Agricultural and Food Chemistry · 2022
Detection of Organochlorine Pesticides in Contaminated Marine Environments via Cyclodextrin-Promoted Fluorescence Modulation
被引 33Dana J. DiScenza, Julie Lynch, Jasmine Miller · ACS Omega · 2017
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