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Neighborhood Path Complex for the Quantitative Analysis of the Structure and Stability of Carboranes 用于定量分析碳硼烷结构和稳定性的邻域路径复合体
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2023-02-16 DOI: 10.1142/s2737416523500229
Jian Liu, Dong Chen, Feng Pan, Jie Wu
{"title":"Neighborhood Path Complex for the Quantitative Analysis of the Structure and Stability of Carboranes","authors":"Jian Liu, Dong Chen, Feng Pan, Jie Wu","doi":"10.1142/s2737416523500229","DOIUrl":"https://doi.org/10.1142/s2737416523500229","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47254449","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 Identification of Triclosan Derivatives as Potential Inhibitors of Mutant Mycobacterium tuberculosis InhA 三氯生衍生物作为突变结核分枝杆菌InhA潜在抑制剂的计算机鉴定
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2023-01-19 DOI: 10.1142/s2737416523500205
N. Panahi, N. Razzaghi-Asl
{"title":"In silico Identification of Triclosan Derivatives as Potential Inhibitors of Mutant Mycobacterium tuberculosis InhA","authors":"N. Panahi, N. Razzaghi-Asl","doi":"10.1142/s2737416523500205","DOIUrl":"https://doi.org/10.1142/s2737416523500205","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46414554","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
Semi-analytical solution of nonlinear hydromagnetic multiphase flow of highly viscous fluid 高粘性流体非线性流磁多相流的半解析解
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2023-01-11 DOI: 10.1142/s2737416523400112
M. Nazeer, F. Hussain, M. Turkyilmazoglu, Qasiar Shahzad
{"title":"Semi-analytical solution of nonlinear hydromagnetic multiphase flow of highly viscous fluid","authors":"M. Nazeer, F. Hussain, M. Turkyilmazoglu, Qasiar Shahzad","doi":"10.1142/s2737416523400112","DOIUrl":"https://doi.org/10.1142/s2737416523400112","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41823796","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: 3
Unsteady MHD flow of Casson fluid past vertical surface using Laplace transform solution 用拉普拉斯变换求解卡森流体垂直表面非定常MHD流动
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2023-01-11 DOI: 10.1142/s2737416523400100
F. Ali, A. Zaib, M. Khalid, B. Hemalatha, T. Padmavathi
{"title":"Unsteady MHD flow of Casson fluid past vertical surface using Laplace transform solution","authors":"F. Ali, A. Zaib, M. Khalid, B. Hemalatha, T. Padmavathi","doi":"10.1142/s2737416523400100","DOIUrl":"https://doi.org/10.1142/s2737416523400100","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46849318","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
In silico Study of Thiourea Derivatives as Potential Epidermal Growth Factor Receptor Inhibitors 硫脲衍生物作为潜在表皮生长因子受体抑制剂的计算机研究
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2023-01-11 DOI: 10.1142/s2737416523500199
N. Roslan, K. Halim, Noraslinda M. Bunnori, M. Aluwi, K. Kassim, N. Ngah
{"title":"In silico Study of Thiourea Derivatives as Potential Epidermal Growth Factor Receptor Inhibitors","authors":"N. Roslan, K. Halim, Noraslinda M. Bunnori, M. Aluwi, K. Kassim, N. Ngah","doi":"10.1142/s2737416523500199","DOIUrl":"https://doi.org/10.1142/s2737416523500199","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45080024","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
Use of Apatinib as a Bait to Fish Its Unexpected Kinase Targets from the Hepatocellular Carcinoma Druggable Kinome 利用阿帕替尼作为诱饵，从肝细胞癌可用药的Kinome中寻找意想不到的激酶靶点
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2023-01-06 DOI: 10.1142/s2737416523500187
R. Liu, Lijun Liu
{"title":"Use of Apatinib as a Bait to Fish Its Unexpected Kinase Targets from the Hepatocellular Carcinoma Druggable Kinome","authors":"R. Liu, Lijun Liu","doi":"10.1142/s2737416523500187","DOIUrl":"https://doi.org/10.1142/s2737416523500187","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47670330","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
Computational analysis of the biophysics of mixed convection in blood-based hybrid nanoparticle under Boussinesq Approximation in a transient regime 基于Boussinesq近似的血液基混合纳米颗粒混合对流生物物理计算分析
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-12-23 DOI: 10.1142/s2737416523400094
E. O. Ige, B. Falodun, Daniel Oluwamuyiwa Adebiyi, S. Khan
{"title":"Computational analysis of the biophysics of mixed convection in blood-based hybrid nanoparticle under Boussinesq Approximation in a transient regime","authors":"E. O. Ige, B. Falodun, Daniel Oluwamuyiwa Adebiyi, S. Khan","doi":"10.1142/s2737416523400094","DOIUrl":"https://doi.org/10.1142/s2737416523400094","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45790173","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
Negishi or Suzuki–Miyaura Pd-catalyzed cross-coupling reaction: Which reaction mechanism is ahead for the formation of well-known anticancer drug combretastatin A-4 analogue? 根石或铃木-宫浦Pd催化的交叉偶联反应：形成著名抗癌药物复方他汀A-4类似物的反应机制是什么？
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-12-23 DOI: 10.1142/s2737416523500175
Zeinab Ahmadvand, M. Bayat
{"title":"Negishi or Suzuki–Miyaura Pd-catalyzed cross-coupling reaction: Which reaction mechanism is ahead for the formation of well-known anticancer drug combretastatin A-4 analogue?","authors":"Zeinab Ahmadvand, M. Bayat","doi":"10.1142/s2737416523500175","DOIUrl":"https://doi.org/10.1142/s2737416523500175","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44880438","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
Exploration of Newtonian heating, viscous dissipation effects on MHD mixed convection flow of Williamson fluid against radially stretched penetrable wedge: A numerical study Williamson流体对径向拉伸穿透楔MHD混合对流的牛顿加热、粘性耗散效应的数值研究
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-12-16 DOI: 10.1142/s2737416523400082
M. Hussain, M. Ashraf, Q. A. Ranjha, M. Inc., S. Jahan
{"title":"Exploration of Newtonian heating, viscous dissipation effects on MHD mixed convection flow of Williamson fluid against radially stretched penetrable wedge: A numerical study","authors":"M. Hussain, M. Ashraf, Q. A. Ranjha, M. Inc., S. Jahan","doi":"10.1142/s2737416523400082","DOIUrl":"https://doi.org/10.1142/s2737416523400082","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45364253","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
Structural Insights into the Interactions of Belumosudil with Rho-associated Coiled-coil Containing Protein Kinases 1 and 2 based on Molecular Docking, Molecular Dynamics Simulations, and Free Energy Calculations 基于分子对接、分子动力学模拟和自由能计算的Belumosudil与含Rho相关卷曲螺旋蛋白激酶1和2相互作用的结构见解
IF 2.2 4区 化学
Journal of Computational Biophysics and Chemistry Pub Date : 2022-12-14 DOI: 10.1142/s2737416523500163
Mingsong Shi, Jiang Liu, Su-Hong Fu, Heying Pei, Bin Peng, Y. Wen, Haoche Wei, Xiaoping Zhou, Lijuan Chen, Dingguo Xu
{"title":"Structural Insights into the Interactions of Belumosudil with Rho-associated Coiled-coil Containing Protein Kinases 1 and 2 based on Molecular Docking, Molecular Dynamics Simulations, and Free Energy Calculations","authors":"Mingsong Shi, Jiang Liu, Su-Hong Fu, Heying Pei, Bin Peng, Y. Wen, Haoche Wei, Xiaoping Zhou, Lijuan Chen, Dingguo Xu","doi":"10.1142/s2737416523500163","DOIUrl":"https://doi.org/10.1142/s2737416523500163","url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2022-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47617497","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
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