Pub Date : 2022-10-06DOI: 10.1142/s2737416523500047
Azka Asif, Ghulam Mustafa, Junaid Yaqoob, Muhammad Usman Khan, Mohammed A. Assiri, Muhammad Imran
{"title":"Designing superalkali metals doped sumanene based highly efficient nonlinear optical materials for cutting-edge optoelectronic applications","authors":"Azka Asif, Ghulam Mustafa, Junaid Yaqoob, Muhammad Usman Khan, Mohammed A. Assiri, Muhammad Imran","doi":"10.1142/s2737416523500047","DOIUrl":"https://doi.org/10.1142/s2737416523500047","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48423108","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 : 2022-10-05DOI: 10.1142/s2737416523400057
M. Saleem, F. Haq, A. Ullah, M. Rahman, O. Bafakeeh
{"title":"Numerical investigation of irreversibility in bioconvective flow of Sisko nanofluid with Arrhenius energy","authors":"M. Saleem, F. Haq, A. Ullah, M. Rahman, O. Bafakeeh","doi":"10.1142/s2737416523400057","DOIUrl":"https://doi.org/10.1142/s2737416523400057","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48077772","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 : 2022-09-23DOI: 10.1142/s2737416523500023
P. Murali, Ramanathan Karuppasamy
{"title":"Discovery of novel and potent inhibitors against mutational variants of IDH1 protein for glioma therapy: A Fragment-based approach","authors":"P. Murali, Ramanathan Karuppasamy","doi":"10.1142/s2737416523500023","DOIUrl":"https://doi.org/10.1142/s2737416523500023","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42772272","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 : 2022-09-09DOI: 10.1142/s2737416523500011
S. Kwofie, Daniel Tweneboah Anyimadu, Solomon Aryee, Blessing Asare, Natalie Kokroko, Jeffrey A. Owusu, Afutu Baron, O. Agyapong, L. Mosi, Edwin Kyei-Baffour, Kweku S. Enninful, Clement Agoni, Michael D. Wilson
{"title":"BuDb: A Curated Drug Discovery Database for Buruli Ulcer","authors":"S. Kwofie, Daniel Tweneboah Anyimadu, Solomon Aryee, Blessing Asare, Natalie Kokroko, Jeffrey A. Owusu, Afutu Baron, O. Agyapong, L. Mosi, Edwin Kyei-Baffour, Kweku S. Enninful, Clement Agoni, Michael D. Wilson","doi":"10.1142/s2737416523500011","DOIUrl":"https://doi.org/10.1142/s2737416523500011","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43043110","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 : 2022-09-09DOI: 10.1142/s2737416522500466
F. Olawale, Opeyemi Iwaloye, I. Folorunso, S. Shityakov
{"title":"In silico high throughput screening of ZINC database of natural compounds to identify novel histone deacetylase inhibitors","authors":"F. Olawale, Opeyemi Iwaloye, I. Folorunso, S. Shityakov","doi":"10.1142/s2737416522500466","DOIUrl":"https://doi.org/10.1142/s2737416522500466","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46858333","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 : 2022-09-09DOI: 10.1142/s2737416523400045
S. Mishra, P. Pattnaik, S. Baag, M. M. Bhatti
{"title":"Study of kerosene-Gold-DNA nanoparticles in a magnetized radiative Poiseuille flow with thermo-diffusion impact","authors":"S. Mishra, P. Pattnaik, S. Baag, M. M. Bhatti","doi":"10.1142/s2737416523400045","DOIUrl":"https://doi.org/10.1142/s2737416523400045","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46184304","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 : 2022-08-26DOI: 10.1142/s2737416522500454
H. Louis, Esther U. Udoh, Ismail O. Amodu, Ernest E. Ekereke, Bartholomew B. Isang, I. B. Onyebuenyi, Adedapo S. Adeyinka
{"title":"Modeling of Mg12O11-X (X = B, N, P, and S) nanostructured materials as sensors for melamine (C3H6N6)","authors":"H. Louis, Esther U. Udoh, Ismail O. Amodu, Ernest E. Ekereke, Bartholomew B. Isang, I. B. Onyebuenyi, Adedapo S. Adeyinka","doi":"10.1142/s2737416522500454","DOIUrl":"https://doi.org/10.1142/s2737416522500454","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45926430","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 : 2022-08-19DOI: 10.1142/s2737416523400033
Sohaib Faiz, Asim Waris, Shafaq Mushtaq, N. B. Khan, Mohammed A Jameel, A. Galal
{"title":"A Training Exoskeleton for rehabilitation in Upper Extremity for Stroke Patients","authors":"Sohaib Faiz, Asim Waris, Shafaq Mushtaq, N. B. Khan, Mohammed A Jameel, A. Galal","doi":"10.1142/s2737416523400033","DOIUrl":"https://doi.org/10.1142/s2737416523400033","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42014343","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 : 2022-08-12DOI: 10.1142/s2737416522500442
Kainat Atiq, Riaz Hussain, Muhammad Adnan, Muhammad Usman Khan, Zobia Irshad, Junaid Yaqoob, M. Khalid, Mohammed A. Assiri, Muhammad Imran, Jongchul Lim
{"title":"Investigating the Role of Novel Benzotrithiophene-Based Bat-Shaped Non-Fullerene Acceptors for High Performance Organic Solar Cells","authors":"Kainat Atiq, Riaz Hussain, Muhammad Adnan, Muhammad Usman Khan, Zobia Irshad, Junaid Yaqoob, M. Khalid, Mohammed A. Assiri, Muhammad Imran, Jongchul Lim","doi":"10.1142/s2737416522500442","DOIUrl":"https://doi.org/10.1142/s2737416522500442","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41421889","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 : 2022-08-12DOI: 10.1142/s2737416522300048
Yuling Zhang, H. Ren, Yize Liu, Meiyu Li, Adnan Rasheed, H. Alias, E. Duan
{"title":"Quantum Chemical and Experimental Insight into Structure, Physicochemical Properties and Dissolving Behavior of Deep Eutectic Solvents","authors":"Yuling Zhang, H. Ren, Yize Liu, Meiyu Li, Adnan Rasheed, H. Alias, E. Duan","doi":"10.1142/s2737416522300048","DOIUrl":"https://doi.org/10.1142/s2737416522300048","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45628011","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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