Pub Date : 2024-07-26DOI: 10.1142/s2737416524500364
Sachin A. Dhawale, S. Mokale, Pratap S Dabhade
{"title":"Design, synthesis, biological evaluation, and molecular modeling studies of new aminopyrimidine derivatives as potential anticancer agents","authors":"Sachin A. Dhawale, S. Mokale, Pratap S Dabhade","doi":"10.1142/s2737416524500364","DOIUrl":"https://doi.org/10.1142/s2737416524500364","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"50 20","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141799732","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 : 2024-07-26DOI: 10.1142/s2737416524500388
Vaibhav Gupta, N. Sundaramoorthy, Neeru Bhanwala, Ramesh Ambatwar, Sumit Kumar, Ramandeep Singh, Gopal L. Khatik
{"title":"Design, synthesis, evaluation, and molecular docking study of novel quinoline hydrazone analogues as anti-tubercular agents","authors":"Vaibhav Gupta, N. Sundaramoorthy, Neeru Bhanwala, Ramesh Ambatwar, Sumit Kumar, Ramandeep Singh, Gopal L. Khatik","doi":"10.1142/s2737416524500388","DOIUrl":"https://doi.org/10.1142/s2737416524500388","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"35 42","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141800459","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 : 2024-07-26DOI: 10.1142/s2737416524500376
Mohamed A. Soltan, Waleed K. Abdulsahib, R. Eid, D. S. Alshaya, Abulqasim M. B. Sideeg, Rihab Osman, T. Alarabi, Gamal Mohamed, Fawziah A Al-Salmi, Eman Fayad, Maram H. Abduljabbar, Mohammed A. Alshehri, Ahmed M. Gouda, Muhammad Alaa Eldeen
{"title":"Application of Reverse Vaccinology and Immunoinformatics to Design a Multitope Vaccine against Gastrointestinal Cancer-inducing Cryptosporidium Parvum","authors":"Mohamed A. Soltan, Waleed K. Abdulsahib, R. Eid, D. S. Alshaya, Abulqasim M. B. Sideeg, Rihab Osman, T. Alarabi, Gamal Mohamed, Fawziah A Al-Salmi, Eman Fayad, Maram H. Abduljabbar, Mohammed A. Alshehri, Ahmed M. Gouda, Muhammad Alaa Eldeen","doi":"10.1142/s2737416524500376","DOIUrl":"https://doi.org/10.1142/s2737416524500376","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"112 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141802150","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 : 2024-07-20DOI: 10.1142/s2737416524020010
Dong Chen, Jian Jiang, Menglun Wang
{"title":"Editorial: Special Issue on Artificial Intelligence in Biophysics and Chemistry","authors":"Dong Chen, Jian Jiang, Menglun Wang","doi":"10.1142/s2737416524020010","DOIUrl":"https://doi.org/10.1142/s2737416524020010","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"125 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141819553","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}
{"title":"Computational insights into the resistance of the gatekeeper mutation V564F of FGFR2 against Pemigatinib","authors":"Jiayu Liu, Qi Jin, Jingying Xia, Ling Liu, Yuee Liu, Lei Jiang","doi":"10.1142/s2737416524500182","DOIUrl":"https://doi.org/10.1142/s2737416524500182","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"4 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140962992","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 : 2024-05-10DOI: 10.1142/s2737416524500170
Muzammil Hussain, Muhammad Adnan, Zobia Irshad, Riaz Hussain, Hany W. Darwish, Malik Muhammad Asif Iqbal
{"title":"Systematic Modelling of N-type D-A-D Conjugated Small Molecule-based Non-Fullerene Acceptors for Organic Photovoltaics","authors":"Muzammil Hussain, Muhammad Adnan, Zobia Irshad, Riaz Hussain, Hany W. Darwish, Malik Muhammad Asif Iqbal","doi":"10.1142/s2737416524500170","DOIUrl":"https://doi.org/10.1142/s2737416524500170","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140990386","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}
{"title":"Phytochemical identification and assessment of Amberboa ramosa Mediated Inhibition of Microtubule and EGFR Associated Growth and Metastasis of Breast Cancer Cells: In vitro and in silico perspective","authors":"Virendra Nath, Aayushi Bhatnagar, Harish Kumar, Anil Kumar Chandravanshi, Ankit Sharma, C. Mandal, Vipin Kumar","doi":"10.1142/s2737416524500145","DOIUrl":"https://doi.org/10.1142/s2737416524500145","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140990910","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 : 2024-05-10DOI: 10.1142/s2737416524500169
P. Surendar, S. K. Jesudoss, C. Raja, K. Rajimon, Renjith Thomas, T. Pooventhiran
{"title":"Molecular Interactions Between Hexanal Schiff Bases and Boron Nanocages: A DFT Approach","authors":"P. Surendar, S. K. Jesudoss, C. Raja, K. Rajimon, Renjith Thomas, T. Pooventhiran","doi":"10.1142/s2737416524500169","DOIUrl":"https://doi.org/10.1142/s2737416524500169","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140992555","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 : 2024-01-05DOI: 10.1142/s2737416524500017
Yiwen Wang, Li-Yan Xu, E. Li, Geng Dong
{"title":"The effects of metal ions and nucleotides on the conformation of actin","authors":"Yiwen Wang, Li-Yan Xu, E. Li, Geng Dong","doi":"10.1142/s2737416524500017","DOIUrl":"https://doi.org/10.1142/s2737416524500017","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"88 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139450477","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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