المؤلفون: Zhang, Qianqian^{Aff1, Aff2}, Han, Jianting, Zhu, Yongchang, Yu, Fansen, Hu, Xiaopeng, Tong, Henry H. Y., Liu, Huanxiang^{Aff1, IDs10822023005304_cor7}

المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 37(12):695-706

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المؤلفون: Ge, Huizhen, Mao, Longfei, Zhao, Jie, Wang, Yuwei, Shi, Danfeng, Yang, Xing, Wang, Xiaorui, Liu, Huanxiang, Yao, Xiaojun^{Aff1, Aff3}

المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 35(5):679-694

المؤلفون: Zhiyuan Qu, Kaihang Li, Xiaoju Geng, Bo Huang, Jian Gao

المصدر: Frontiers in Molecular Biosciences, Vol 8 (2021)

مصطلحات موضوعية: SARS-CoV-2 spike, biliverdin, molecular dynamics simulation, MM/GBSA calculation, mutation, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2021.791885/full; https://doaj.org/toc/2296-889X

URL الوصول: https://doaj.org/article/296a7afac70149679154b2ebce56fb68

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المؤلفون: Priyanka Ramesh, Woong-Hee Shin, Shanthi Veerappapillai

المصدر: Pharmaceutics, Vol 13, Iss 11, p 1775 (2021)

مصطلحات موضوعية: LC-2/ad cell line, drug discovery, docking, MM-GBSA calculation, molecular dynamics, cytotoxicity assay, Pharmacy and materia medica, RS1-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1999-4923/13/11/1775; https://doaj.org/toc/1999-4923

URL الوصول: https://doaj.org/article/a8566ba4770e4e44b5ad36e030ac27ad

المؤلفون: Sushil K. Mishra, Yoshiki Yamaguchi, Makoto Higuchi, Naruhiko Sahara

المصدر: International Journal of Molecular Sciences, Vol 22, Iss 1, p 349 (2020)

مصطلحات موضوعية: docking, MM/GBSA calculation, positron emission tomography (PET) imaging, tau, PET tracers, Biology (General), QH301-705.5, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1422-0067/22/1/349; https://doaj.org/toc/1661-6596; https://doaj.org/toc/1422-0067

URL الوصول: https://doaj.org/article/263c29b6458741c98aa16f9bdd9a9496

المؤلفون: Qingqing Chen, Yan Wang, Shanshan Shi, Kaihang Li, Ling Zhang, Jian Gao

المصدر: International Journal of Molecular Sciences, Vol 20, Iss 21, p 5410 (2019)

مصطلحات موضوعية: pim kinase, pim447, azd1208, molecular dynamics simulation, mm/gbsa calculation, Biology (General), QH301-705.5, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1422-0067/20/21/5410; https://doaj.org/toc/1422-0067

URL الوصول: https://doaj.org/article/57de88b1947640dbb5d921ada2bf2675

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المؤلفون: Yoshiki Yamaguchi, Makoto Higuchi, Naruhiko Sahara, Sushil Kumar Mishra

المصدر: International Journal of Molecular Sciences, Vol 22, Iss 349, p 349 (2021)
International Journal of Molecular Sciences
Volume 22
Issue 1

مصطلحات موضوعية: Tau protein, Binding energy, PET tracers, tau Proteins, Fibril, Article, Catalysis, Inorganic Chemistry, lcsh:Chemistry, Molecular dynamics, Pick Disease of the Brain, mental disorders, Humans, Computer Simulation, MM/GBSA calculation, tau, Physical and Theoretical Chemistry, Pet tracer, Binding site, Molecular Biology, lcsh:QH301-705.5, Spectroscopy, Binding Sites, biology, Chemistry, Organic Chemistry, Rational design, General Medicine, Computer Science Applications, lcsh:Biology (General), lcsh:QD1-999, Docking (molecular), Positron-Emission Tomography, docking, biology.protein, Biophysics, positron emission tomography (PET) imaging, Radiopharmaceuticals

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96de8a0f67cbea684c62d9e92104337c
https://www.mdpi.com/1422-0067/22/1/349