Pub Date : 2023-05-22DOI: 10.1142/s2737416523500345
Mancong Zhang, Chengxu Zhu, Zeyu Luo, Junhao Liu, Muhammad Tahir Khan, Yawen Sun, Dongqing Wei, Yu-Juan Zhang
{"title":"Exploring key proteins, pathways and oxygen usage bias of proteins and metabolites in melanoma","authors":"Mancong Zhang, Chengxu Zhu, Zeyu Luo, Junhao Liu, Muhammad Tahir Khan, Yawen Sun, Dongqing Wei, Yu-Juan Zhang","doi":"10.1142/s2737416523500345","DOIUrl":"https://doi.org/10.1142/s2737416523500345","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44490105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-05-12DOI: 10.1142/s2737416523420012
Muhammad Adnan, Qandeel Fatima, Zobia Irshad, Riaz Hussain, Junaid Yaqoob, Muhammad Usman Khan, Nooruddin Ansari, S. A. Siddique, Jongchul Lim
{"title":"Role of Aromatic Heterocyclic Core-Based Materials as Donors for Organic and as Hole Transport Materials for Perovskites Solar cells","authors":"Muhammad Adnan, Qandeel Fatima, Zobia Irshad, Riaz Hussain, Junaid Yaqoob, Muhammad Usman Khan, Nooruddin Ansari, S. A. Siddique, Jongchul Lim","doi":"10.1142/s2737416523420012","DOIUrl":"https://doi.org/10.1142/s2737416523420012","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43438357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-05-05DOI: 10.1142/s2737416523500333
M. D. Olawale, F. Ola-Mudathir, E. Akintemi, J. Obaleye
{"title":"Anti-Tuberculous Drug Copper Pyrazinamide: Synthesis, Characterization, Theoretical DFT, Bioactivity and Toxicity Studies in the Liver","authors":"M. D. Olawale, F. Ola-Mudathir, E. Akintemi, J. Obaleye","doi":"10.1142/s2737416523500333","DOIUrl":"https://doi.org/10.1142/s2737416523500333","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49387140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-20DOI: 10.1142/s2737416523500321
M. Roney, A. M. Huq, Mohd Fadhlizil Fasihi Mohd Aluwi, S. N. Tajuddin
{"title":"In-silico Design of Curcumin Analogs as Potential Inhibitors of Dengue Virus NS2B/NS3 Protease","authors":"M. Roney, A. M. Huq, Mohd Fadhlizil Fasihi Mohd Aluwi, S. N. Tajuddin","doi":"10.1142/s2737416523500321","DOIUrl":"https://doi.org/10.1142/s2737416523500321","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43931858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-15DOI: 10.1142/s2737416523500291
J. Shen, Meiyuan Chen, Jianqin Chen, Jiangang Wu, Yan Shen, Yumei Chen, Z. Wang
{"title":"Hydrocarbon Stapling-improved Coupled Folding-upon-Binding of Peptide-mediated Interaction between the Nucleocapsid and Phosphoprotein of Human Orthopneumovirus","authors":"J. Shen, Meiyuan Chen, Jianqin Chen, Jiangang Wu, Yan Shen, Yumei Chen, Z. Wang","doi":"10.1142/s2737416523500291","DOIUrl":"https://doi.org/10.1142/s2737416523500291","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49033574","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-15DOI: 10.1142/s273741652350031x
Ekrem Yaşar, M. Yaşar, Segun Dogru, N. Yaraş, E. Eroglu
{"title":"Effects of Angiotensin 1-7 Binding on the Dynamics of Human MAS Proto-oncogene, GPCR: A Molecular Dynamics Study","authors":"Ekrem Yaşar, M. Yaşar, Segun Dogru, N. Yaraş, E. Eroglu","doi":"10.1142/s273741652350031x","DOIUrl":"https://doi.org/10.1142/s273741652350031x","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41434707","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-06DOI: 10.1142/s273741652350028x
{"title":"LSDDB: Lysosomal Storage Disorder DataBase for lysosomal proteins and their single amino acid substitutions","authors":"","doi":"10.1142/s273741652350028x","DOIUrl":"https://doi.org/10.1142/s273741652350028x","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42151076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-10DOI: 10.1142/s2737416523500266
M. Rezaei-Sameti, H. Torabi
{"title":"Assessment of the capability and potential of pristine, Sc, Ti and Ni-doped C24 nanocage to delivery and sensor property of Prothionamide drug: Insight of DFT, TD-DFT computational methods","authors":"M. Rezaei-Sameti, H. Torabi","doi":"10.1142/s2737416523500266","DOIUrl":"https://doi.org/10.1142/s2737416523500266","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45320469","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-10DOI: 10.1142/s2737416523500254
Pedro M. S. Suzano, Inês D. S. Pires, Tomás F D Silva, Nuno F. B. Oliveira, Pedro B. P. S. Reis, M. Machuqueiro
{"title":"MembIT - a tool to calculate solute membrane insertions and deformations in molecular dynamics simulations","authors":"Pedro M. S. Suzano, Inês D. S. Pires, Tomás F D Silva, Nuno F. B. Oliveira, Pedro B. P. S. Reis, M. Machuqueiro","doi":"10.1142/s2737416523500254","DOIUrl":"https://doi.org/10.1142/s2737416523500254","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42176708","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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