发布求助
文献互助 智能选刊 最新文献

Journal of Biomolecular Structure and Dynamics最新文献

筛选
英文 中文
Machine learning-based prediction of proteins’ architecture using sequences of amino acids and structural alphabets 利用氨基酸序列和结构字母表，基于机器学习预测蛋白质结构
Journal of Biomolecular Structure and Dynamics Pub Date : 2024-03-20 DOI: 10.1080/07391102.2024.2328736
Jad Abbass, Charles Parisi
{"title":"Machine learning-based prediction of proteins’ architecture using sequences of amino acids and structural alphabets","authors":"Jad Abbass, Charles Parisi","doi":"10.1080/07391102.2024.2328736","DOIUrl":"https://doi.org/10.1080/07391102.2024.2328736","url":null,"abstract":"In addition to the growth of protein structures generated through wet laboratory experiments and deposited in the PDB repository, AlphaFold predictions have significantly contributed to the creatio...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"2014 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140172203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Computational insights into dynamics and conformational stability of N-acetylmannosamine kinase mutations 通过计算深入了解 N-乙酰甘露糖胺激酶突变的动力学和构象稳定性
Journal of Biomolecular Structure and Dynamics Pub Date : 2024-03-19 DOI: 10.1080/07391102.2024.2323702
Ashraf B. Abdel-Naim, Pawan Kumar, Mohammed A. Bazuhair, Waleed Y. Rizg, Hatoon A. Niyazi, Khalil Alkuwaity, Hanouf A. Niyazi, Saif A. Alharthy, Steve Harakeh, Shafiul Haque, Amresh Prakash, Vijay Kumar
{"title":"Computational insights into dynamics and conformational stability of N-acetylmannosamine kinase mutations","authors":"Ashraf B. Abdel-Naim, Pawan Kumar, Mohammed A. Bazuhair, Waleed Y. Rizg, Hatoon A. Niyazi, Khalil Alkuwaity, Hanouf A. Niyazi, Saif A. Alharthy, Steve Harakeh, Shafiul Haque, Amresh Prakash, Vijay Kumar","doi":"10.1080/07391102.2024.2323702","DOIUrl":"https://doi.org/10.1080/07391102.2024.2323702","url":null,"abstract":"The activity of UDP-GlcNAc 2-epimerase/ManNAc kinase (GNE) is essential for the biosynthesis of sialic acid, which is involved in cellular processes in health and diseases. GNE contains an N-termin...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"21 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140172211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In silico screening of selective ATP mimicking inhibitors targeting the Plasmodium falciparum Grp94 针对恶性疟原虫 Grp94 的选择性 ATP 模仿抑制剂的硅学筛选
Journal of Biomolecular Structure and Dynamics Pub Date : 2024-03-18 DOI: 10.1080/07391102.2024.2329304
Melissa Louise Stofberg, Florence Lisa Muzenda, Ikechukwu Achilonu, Erick Strauss, Tawanda Zininga
{"title":"In silico screening of selective ATP mimicking inhibitors targeting the Plasmodium falciparum Grp94","authors":"Melissa Louise Stofberg, Florence Lisa Muzenda, Ikechukwu Achilonu, Erick Strauss, Tawanda Zininga","doi":"10.1080/07391102.2024.2329304","DOIUrl":"https://doi.org/10.1080/07391102.2024.2329304","url":null,"abstract":"Plasmodium falciparum parasites export more than 400 proteins to remodel the host cell environment and increase its chances of surviving and reproducing. The endoplasmic reticulum (ER) plays a cent...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"69 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140151338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular insights into ferric-siderophore transport by the putative TonB-dependent transporter in Mycobacterium tuberculosis 对结核分枝杆菌中由推测的 TonB 依赖性转运体转运铁-苷酸的分子认识
Journal of Biomolecular Structure and Dynamics Pub Date : 2024-03-05 DOI: 10.1080/07391102.2024.2322639
Gauri Shankar, Yusuf Akhter
{"title":"Molecular insights into ferric-siderophore transport by the putative TonB-dependent transporter in Mycobacterium tuberculosis","authors":"Gauri Shankar, Yusuf Akhter","doi":"10.1080/07391102.2024.2322639","DOIUrl":"https://doi.org/10.1080/07391102.2024.2322639","url":null,"abstract":"Iron acquisition is critical to the virulence of Mycobacterium tuberculosis (Mtb), the causative agent of tuberculosis. To acquire iron within the host, Mtb secretes siderophores that chelate iron ...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"35 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140070273","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In vitro bioactivities and in silico enzyme interactions of abietatrien-3β-ol by bio-guided isolation from Nepeta italica subsp. italica 通过生物指导从意大利扁柏亚种中分离出 abietatrien-3β-ol 的体外生物活性和硅酶相互作用
Journal of Biomolecular Structure and Dynamics Pub Date : 2024-03-05 DOI: 10.1080/07391102.2024.2322626
Yaşar İpek, Yunus Başar, Semiha Yenigün, Lütfi Behçet, Tevfik Özen, İbrahim Demirtaş
{"title":"In vitro bioactivities and in silico enzyme interactions of abietatrien-3β-ol by bio-guided isolation from Nepeta italica subsp. italica","authors":"Yaşar İpek, Yunus Başar, Semiha Yenigün, Lütfi Behçet, Tevfik Özen, İbrahim Demirtaş","doi":"10.1080/07391102.2024.2322626","DOIUrl":"https://doi.org/10.1080/07391102.2024.2322626","url":null,"abstract":"Abietatrien-3β-ol (ATO) was isolated from the aerial part of the Nepeta italica subsp. italica methanol-chloroform extract and studied antioxidant, enzyme inhibition, and DNA protection activities....","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"33 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140070222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural and energetic analysis of NS5 protein inhibition by small molecules in Japanese encephalitis virus using machine learning and steered molecular dynamics approach 利用机器学习和定向分子动力学方法，对日本脑炎病毒 NS5 蛋白受小分子抑制的结构和能量分析
Journal of Biomolecular Structure and Dynamics Pub Date : 2024-02-26 DOI: 10.1080/07391102.2024.2316767
Abdulfattah Y. Alhazmi, Farhan R. Khan, Zia ur Rehman, Ali Hazazi, Bader S. Alotaibi, Nahed S. Alharthi, Hayaa M. Alhuthali, Faris F. Aba Alkhayl, Faez Falah Alshehri, Abdulaziz Alkhoshaiban, Faisal Al-Otaibi
{"title":"Structural and energetic analysis of NS5 protein inhibition by small molecules in Japanese encephalitis virus using machine learning and steered molecular dynamics approach","authors":"Abdulfattah Y. Alhazmi, Farhan R. Khan, Zia ur Rehman, Ali Hazazi, Bader S. Alotaibi, Nahed S. Alharthi, Hayaa M. Alhuthali, Faris F. Aba Alkhayl, Faez Falah Alshehri, Abdulaziz Alkhoshaiban, Faisal Al-Otaibi","doi":"10.1080/07391102.2024.2316767","DOIUrl":"https://doi.org/10.1080/07391102.2024.2316767","url":null,"abstract":"One of the viral diseases that affect millions of people around the world, particularly in developing countries, is Japanese encephalitis (JE). In this study, the conserved protein of this virus, t...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"79 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139968963","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Revolutionizing and identifying novel drug targets in Citrobacter koseri via subtractive proteomics and development of a multi-epitope vaccine using reverse vaccinology and immuno-informatics 通过减法蛋白质组学彻底改变和确定柯氏柠檬酸杆菌中的新型药物靶点，并利用反向疫苗学和免疫信息学开发多表位疫苗
Journal of Biomolecular Structure and Dynamics Pub Date : 2024-02-26 DOI: 10.1080/07391102.2024.2316762
Israr Fatima, Fahad M. Alshabrmi, Tariq Aziz, Abdulhakeem S. Alamri, Majid Alhomrani, Saad Alghamdi, Reem Ahmad Alghuraybi, Ahmad O. Babalghith, Ghazi A. Bamagous, Zain Alhindi, Anas S. Dablool, Areej A. Alhhazmi, Mashael W. Alruways
{"title":"Revolutionizing and identifying novel drug targets in Citrobacter koseri via subtractive proteomics and development of a multi-epitope vaccine using reverse vaccinology and immuno-informatics","authors":"Israr Fatima, Fahad M. Alshabrmi, Tariq Aziz, Abdulhakeem S. Alamri, Majid Alhomrani, Saad Alghamdi, Reem Ahmad Alghuraybi, Ahmad O. Babalghith, Ghazi A. Bamagous, Zain Alhindi, Anas S. Dablool, Areej A. Alhhazmi, Mashael W. Alruways","doi":"10.1080/07391102.2024.2316762","DOIUrl":"https://doi.org/10.1080/07391102.2024.2316762","url":null,"abstract":"Citrobacter koseri is a gram-negative rod that has been linked to infections in people with significant comorbidities and immunocompromised immune systems. It is most commonly known to cause urinar...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139969296","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Elucidating the EXOSC3-IRE1α interaction: a convergent study incorporating computational, in vitro and in vivo studies 阐明 EXOSC3-IRE1α 的相互作用：一项融合了计算、体外和体内研究的聚合研究
Journal of Biomolecular Structure and Dynamics Pub Date : 2024-02-26 DOI: 10.1080/07391102.2024.2320252
Ariha Ashraf, Younis Majeed, Irfan Gul, Mariam Banday, Khalida Ramzan, Khalid Majid Fazili
{"title":"Elucidating the EXOSC3-IRE1α interaction: a convergent study incorporating computational, in vitro and in vivo studies","authors":"Ariha Ashraf, Younis Majeed, Irfan Gul, Mariam Banday, Khalida Ramzan, Khalid Majid Fazili","doi":"10.1080/07391102.2024.2320252","DOIUrl":"https://doi.org/10.1080/07391102.2024.2320252","url":null,"abstract":"The Unfolded protein response (UPR) is an adaptive signalling pathway which is triggered by accumulation of unfolded/misfolded protein in ER lumen. The UPR consist of three transmembrane proteins-I...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139969424","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Insilico screening to identify novel inhibitors targeting 30S ribosomal protein S12 in meningitis-causing organism ‘Elizabethkingia meningoseptica’ 在脑膜炎致病菌 "脑膜脑炎伊丽莎白金格菌 "中，通过内科学筛选确定靶向 30S 核糖体蛋白 S12 的新型抑制剂
Journal of Biomolecular Structure and Dynamics Pub Date : 2024-02-26 DOI: 10.1080/07391102.2024.2321511
Neha Girdhar, Vikas Yadav, Nilima Kumari, Naidu Subbarao, Annangarachari Krishnamachari
{"title":"Insilico screening to identify novel inhibitors targeting 30S ribosomal protein S12 in meningitis-causing organism ‘Elizabethkingia meningoseptica’","authors":"Neha Girdhar, Vikas Yadav, Nilima Kumari, Naidu Subbarao, Annangarachari Krishnamachari","doi":"10.1080/07391102.2024.2321511","DOIUrl":"https://doi.org/10.1080/07391102.2024.2321511","url":null,"abstract":"The current trend in biomedical research is on prioritizing infections based on multidrug resistance. Elizabethkingia meningoseptica, a nosocomial infection-causing organism emerging from Neonatal ...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"78 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139969536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Network pharmacology integrated molecular docking of fucoidan against oral cancer and in vitro evaluation- A study using GEO datasets 褐藻糖胶抗口腔癌的网络药理学综合分子对接和体外评估--利用 GEO 数据集的研究
Journal of Biomolecular Structure and Dynamics Pub Date : 2024-02-22 DOI: 10.1080/07391102.2024.2316771
Arul Jayanthi Antonisamy, Karthikeyan Rajendran, Premnath Dhanaraj
{"title":"Network pharmacology integrated molecular docking of fucoidan against oral cancer and in vitro evaluation- A study using GEO datasets","authors":"Arul Jayanthi Antonisamy, Karthikeyan Rajendran, Premnath Dhanaraj","doi":"10.1080/07391102.2024.2316771","DOIUrl":"https://doi.org/10.1080/07391102.2024.2316771","url":null,"abstract":"Oral cancer is a widespread health concern in rural India due to a lack of awareness, delayed diagnosis and limited access to affordable treatment options. The current chemotherapy has notable side...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"37 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139921738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信