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Designing superalkali metals doped sumanene based highly efficient nonlinear optical materials for cutting-edge optoelectronic applications 设计用于尖端光电子应用的超碱金属掺杂sumane基高效非线性光学材料
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-10-06 DOI: 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}
引用次数: 1
Numerical investigation of irreversibility in bioconvective flow of Sisko nanofluid with Arrhenius energy 具有阿伦尼乌斯能的Sisko纳米流体生物对流不可逆性的数值研究
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-10-05 DOI: 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}
引用次数: 0
Discovery of novel and potent inhibitors against mutational variants of IDH1 protein for glioma therapy: A Fragment-based approach 发现针对胶质瘤治疗中IDH1蛋白突变变体的新型有效抑制剂:基于片段的方法
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-09-23 DOI: 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}
引用次数: 0
BuDb: A Curated Drug Discovery Database for Buruli Ulcer BuDb：布鲁里溃疡的治愈药物发现数据库
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-09-09 DOI: 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}
引用次数: 1
In silico high throughput screening of ZINC database of natural compounds to identify novel histone deacetylase inhibitors 天然化合物ZINC数据库的计算机高通量筛选以鉴定新的组蛋白脱乙酰酶抑制剂
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-09-09 DOI: 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}
引用次数: 2
Study of kerosene-Gold-DNA nanoparticles in a magnetized radiative Poiseuille flow with thermo-diffusion impact 热扩散冲击磁化辐射Poiseuille流中煤油金DNA纳米粒子的研究
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-09-09 DOI: 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}
引用次数: 1
Modeling of Mg12O11-X (X = B, N, P, and S) nanostructured materials as sensors for melamine (C3H6N6) Mg12O11-X (X = B, N, P, S)纳米结构材料作为三聚氰胺(C3H6N6)传感器的建模
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-08-26 DOI: 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}
引用次数: 11
A Training Exoskeleton for rehabilitation in Upper Extremity for Stroke Patients 脑卒中患者上肢康复训练外骨骼
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-08-19 DOI: 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}
引用次数: 0
Investigating the Role of Novel Benzotrithiophene-Based Bat-Shaped Non-Fullerene Acceptors for High Performance Organic Solar Cells 新型苯并三噻吩基蝙蝠形非富勒烯受体在高性能有机太阳能电池中的作用研究
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-08-12 DOI: 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}
引用次数: 4
Quantum Chemical and Experimental Insight into Structure, Physicochemical Properties and Dissolving Behavior of Deep Eutectic Solvents 深共晶溶剂结构、理化性质和溶解行为的量子化学与实验研究
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-08-12 DOI: 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}
引用次数: 1
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