Pub Date : 2024-02-01DOI: 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}
Pub Date : 2024-02-01DOI: 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}
Pub Date : 2024-02-01DOI: 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}
Pub Date : 2024-02-01DOI: 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}
Pub Date : 2024-02-01DOI: 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}
Pub Date : 2024-02-01DOI: 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}
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