Predicting estrogen receptor binding of chemicals using a suite of in silico methods - Complementary approaches of (Q)SAR, molecular docking and molecular dynamics

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作者： Cotterill, J., V ^[1] ; Palazzolo, L. ^[2] ; Ridgway, C. ^[3] ; Price, N. ^[4] ; Rorije, E. ^[5] ; Moretto, A. ^[6] ; Peijnenburg, A. ; Eberini, I

作者单位： Univ Milan, Dipartimento Sci Farmacol & Biomol, Via Balzaretti 9, I-20133 Milan, Italy ^[1] Univ Milan, Dipartimento Sci Farrnacol & Biomol, Via Balzaretti 9, I-920133 Milan, Italy ^[2] Fern Sci Ltd, York YO41 1LZ, N Yorkshire, England ^[3] Natl Inst Publ Hlth & Environm RIVM, Ctr Safety Subst & Prod, POB 1, NL-3720 BA Bilthoven ^[4] Univ Milan, Dipartimento Sci Biomed & Clin, Osped L Sacco, Padigl 17,Via GB Grassi 74, I-20157 ^[5] Wageningen Univ & Res, Wageningen, Netherlands ^[6]

关键词 Estrogen receptor In Silico QSAR Molecular docking Low-mode molecular dynamics simulation

发布时间 2020-02-26

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Toxicology and Applied Pharmacology

2019年378卷

Article 114630-Article 114630页

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Predicting estrogen receptor binding of chemicals using a suite of in silico methods - Complementary approaches of (Q)SAR, molecular docking and molecular dynamics

Toxicology and Applied Pharmacology

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Toxicology and Applied Pharmacology

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Predicting estrogen receptor binding of chemicals using a suite of in silico methods - Complementary approaches of (Q)SAR, molecular docking and molecular dynamics

Toxicology and Applied Pharmacology

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Toxicology and Applied Pharmacology

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