Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles (vol 62, pg 9418, 2019)

Balazs Amber Y. S.; Carbajo Rodrigo J.; Davies Nichola L.; Dong Yu; Hird Alexander W.; Johannes Jeffrey W.; Lamb Michelle L.; McCoull William; Raubo Piotr; Robb Graeme R.; Packer Martin J.; Chiarparin Elisabetta

首页> 外文期刊>Journal of Medicinal Chemistry >Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles (vol 62, pg 9418, 2019)

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Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles (vol 62, pg 9418, 2019)

机译：自由配体1D NMR构象签具，以增强基于结构的MCL-1抑制剂的药物设计（AZD5991）和其他合成宏γ（Vol 62，PG 9418,2019）

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来源
《Journal of Medicinal Chemistry》 |2021年第5期|共1页
作者
Balazs Amber Y. S.; Carbajo Rodrigo J.; Davies Nichola L.; Dong Yu; Hird Alexander W.; Johannes Jeffrey W.; Lamb Michelle L.; McCoull William; Raubo Piotr; Robb Graeme R.; Packer Martin J.; Chiarparin Elisabetta;
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正文语种 eng
中图分类药学;
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1. Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles [J] . Balazs Amber Y. S., Carbajo Rodrigo J., Davies Nichola L., Journal of Medicinal Chemistry . 2019,第21期

机译：自由配体1D NMR构象签名，以增强基于结构的MCL-1抑制剂的药物设计（AZD5991）和其他合成宏γ
2. Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library (vol 62, pg 2928, 2019) [J] . Shaikh Faraz, Zhao Yuguang, Alvarez Luis, Journal of Medicinal Chemistry . 2019,第21期

机译：基于Silico筛选的结构鉴定了来自中药库的有效涡卵病毒抑制剂（Vol 62，PG 2928,2019）
3. Structure-Based Macrocycle Design in Small-Molecule Drug Discovery and Simple Metrics To Identify Opportunities for Macrocyclization of Small-Molecule Ligands [J] . Cummings Maxwell D., Sekharan Sivakumar Journal of Medicinal Chemistry . 2019,第15期

机译：小分子药物发现中基于结构的宏观整数设计和简单的指标，以确定小分子配体的宏核的机会
4. Computational simulations of protein-ligand molecular recognition via enhanced samplings, free energy calculations and applications to structure-based drug design. [D] . Park, In-Hee. 2010

机译：蛋白质-配体分子识别的计算模拟，包括增强采样，自由能计算以及在基于结构的药物设计中的应用。
5. Crystal Structure of the T877A Human Androgen Receptor Ligand-binding Domain Complexed to Cyproterone Acetate Provides Insight for Ligand-induced Conformational Changes and Structure-based Drug Design [O] . Casey E. Bohl, Zengru Wu, Duane D. Miller, -1

机译：T877A人类雄激素受体配体结合域的晶体结构与醋酸环丙孕酮复合提供了配体诱导的构象变化和基于结构的药物设计的见解。
6. Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles [O] . Amber Y. S. Balazs, Rodrigo J. Carbajo, Nichola L. Davies, 2019

机译：自由配体1D NMR构象签名，以增强基于结构的MCL-1抑制剂的药物设计（AZD5991）和其他合成宏γ

Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles (vol 62, pg 9418, 2019)

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