发布求助
文献互助 智能选刊 最新文献

Journal of Molecular Graphics and Modelling最新文献

筛选
英文 中文
Aromaticity of six-membered nitro energetic compounds through molecular electrostatic potential, magnetic, electronic delocalisation and reactivity-based indices 通过分子静电势、磁性、电子脱位和基于反应性的指数分析六元硝基高能化合物的芳香性
Journal of Molecular Graphics and Modelling Pub Date : 2024-02-01 DOI: 10.1016/j.jmgm.2024.108728
Samir Kenouche, Nassima Bachir, Wissem Bouchel, Jorge I. Martínez-Araya
{"title":"Aromaticity of six-membered nitro energetic compounds through molecular electrostatic potential, magnetic, electronic delocalisation and reactivity-based indices","authors":"Samir Kenouche, Nassima Bachir, Wissem Bouchel, Jorge I. Martínez-Araya","doi":"10.1016/j.jmgm.2024.108728","DOIUrl":"https://doi.org/10.1016/j.jmgm.2024.108728","url":null,"abstract":"","PeriodicalId":501548,"journal":{"name":"Journal of Molecular Graphics and Modelling","volume":"5 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139812033","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
The full-length TSH receptor is stabilized by TSH ligand 全长 TSH 受体由 TSH 配体稳定
Journal of Molecular Graphics and Modelling Pub Date : 2024-02-01 DOI: 10.1016/j.jmgm.2024.108725
M. Mezei, R. Latif, Terry F. Davies
{"title":"The full-length TSH receptor is stabilized by TSH ligand","authors":"M. Mezei, R. Latif, Terry F. Davies","doi":"10.1016/j.jmgm.2024.108725","DOIUrl":"https://doi.org/10.1016/j.jmgm.2024.108725","url":null,"abstract":"","PeriodicalId":501548,"journal":{"name":"Journal of Molecular Graphics and Modelling","volume":"27 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139827708","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 dynamics simulations shows real-time lid opening in Hsp70 chaperone 分子动力学模拟显示 Hsp70 合子的盖子实时打开
Journal of Molecular Graphics and Modelling Pub Date : 2024-02-01 DOI: 10.1016/j.jmgm.2024.108726
Farindra Kumar Mahto, Akash Bhattacharya, S. Bhattacharya
{"title":"Molecular dynamics simulations shows real-time lid opening in Hsp70 chaperone","authors":"Farindra Kumar Mahto, Akash Bhattacharya, S. Bhattacharya","doi":"10.1016/j.jmgm.2024.108726","DOIUrl":"https://doi.org/10.1016/j.jmgm.2024.108726","url":null,"abstract":"","PeriodicalId":501548,"journal":{"name":"Journal of Molecular Graphics and Modelling","volume":"1 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139890440","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
Design of saccharide based organic binder for low-grade iron ore pelletization using atomistic simulations and machine learning methods 利用原子模拟和机器学习方法设计用于低品位铁矿石球团的糖基有机粘合剂
Journal of Molecular Graphics and Modelling Pub Date : 2024-02-01 DOI: 10.1016/j.jmgm.2024.108730
Diship Srivastava, Biswajit Saha, Niladri Patra
{"title":"Design of saccharide based organic binder for low-grade iron ore pelletization using atomistic simulations and machine learning methods","authors":"Diship Srivastava, Biswajit Saha, Niladri Patra","doi":"10.1016/j.jmgm.2024.108730","DOIUrl":"https://doi.org/10.1016/j.jmgm.2024.108730","url":null,"abstract":"","PeriodicalId":501548,"journal":{"name":"Journal of Molecular Graphics and Modelling","volume":"17 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139889652","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
Effects of anthocyanidins on the conformational transition of Aβ(1-42) peptide: Insights from molecular docking and molecular dynamics simulations 花青素对 Aβ(1-42)肽构象转变的影响：分子对接和分子动力学模拟的启示
Journal of Molecular Graphics and Modelling Pub Date : 2024-02-01 DOI: 10.1016/j.jmgm.2024.108732
Norzalina Zakaria, Wan Muhammad Rahmat Syazuli Wan Harun, Muhammad Alif Mohammad Latif, Siti Nor Ani Azaman, Mohd Basyaruddin Abdul Rahman, Nur Hana Faujan
{"title":"Effects of anthocyanidins on the conformational transition of Aβ(1-42) peptide: Insights from molecular docking and molecular dynamics simulations","authors":"Norzalina Zakaria, Wan Muhammad Rahmat Syazuli Wan Harun, Muhammad Alif Mohammad Latif, Siti Nor Ani Azaman, Mohd Basyaruddin Abdul Rahman, Nur Hana Faujan","doi":"10.1016/j.jmgm.2024.108732","DOIUrl":"https://doi.org/10.1016/j.jmgm.2024.108732","url":null,"abstract":"","PeriodicalId":501548,"journal":{"name":"Journal of Molecular Graphics and Modelling","volume":"317 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139822809","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 modification of A-C-A configured X–PCIC acceptor molecule for efficient photovoltaic properties with low energy loss in organic solar cells 对 A-C-A 配置的 X-PCIC 受体分子进行结构修饰，以在有机太阳能电池中实现低能量损耗的高效光伏特性
Journal of Molecular Graphics and Modelling Pub Date : 2024-02-01 DOI: 10.1016/j.jmgm.2024.108722
Mariam Ishtiaq, Muhammad Salim Akhter, Muhammad Waqas, Sahar Javaid Akram, Ahmed Mahal, Anas Alkhouri, Ali S. Alshomrany, Naifa S. Alatawi, H. F. Alotaibi, R. A. Shehzad, M. I. Vohra, Imen zghab, R. Khera
{"title":"Structural modification of A-C-A configured X–PCIC acceptor molecule for efficient photovoltaic properties with low energy loss in organic solar cells","authors":"Mariam Ishtiaq, Muhammad Salim Akhter, Muhammad Waqas, Sahar Javaid Akram, Ahmed Mahal, Anas Alkhouri, Ali S. Alshomrany, Naifa S. Alatawi, H. F. Alotaibi, R. A. Shehzad, M. I. Vohra, Imen zghab, R. Khera","doi":"10.1016/j.jmgm.2024.108722","DOIUrl":"https://doi.org/10.1016/j.jmgm.2024.108722","url":null,"abstract":"","PeriodicalId":501548,"journal":{"name":"Journal of Molecular Graphics and Modelling","volume":"52 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139817982","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 functional analysis of Cyanovirin-N homologs: Carbohydrate binding affinities and antiviral potential of cyanobacterial peptides 蓝藻病毒素-N同源物的结构和功能分析：蓝藻肽的碳水化合物结合亲和力和抗病毒潜力
Journal of Molecular Graphics and Modelling Pub Date : 2024-02-01 DOI: 10.1016/j.jmgm.2024.108718
Gabriel Xavier, Alenna Sousa, Larissa Queiroz dos Santos, Délia Aguiar, Evonnildo Gonçalves, Andrei Siqueira
{"title":"Structural and functional analysis of Cyanovirin-N homologs: Carbohydrate binding affinities and antiviral potential of cyanobacterial peptides","authors":"Gabriel Xavier, Alenna Sousa, Larissa Queiroz dos Santos, Délia Aguiar, Evonnildo Gonçalves, Andrei Siqueira","doi":"10.1016/j.jmgm.2024.108718","DOIUrl":"https://doi.org/10.1016/j.jmgm.2024.108718","url":null,"abstract":"","PeriodicalId":501548,"journal":{"name":"Journal of Molecular Graphics and Modelling","volume":"47 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139874543","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
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