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Structural Stability and Binding Ability of SARS-CoV-2 Main Protease with GC376: A Stereoisomeric Covalent Ligand Analysis by FMO calculation SARS-CoV-2 主要蛋白酶与 GC376 的结构稳定性和结合能力：通过 FMO 计算分析立体异构共价配体
IF 0.3
Chem-Bio Informatics Journal Pub Date : 2024-05-17 DOI: 10.1273/cbij.24.13
Yuya Seki, C. Watanabe, Norihiko Tani, K. Kamisaka, Tatsuya Ohyama, Daisuke Takaya, Teruki Honma
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引用次数: 0
Enzyme Kinetics Based on the Concept of Flux 基于通量概念的酶动力学
IF 0.3
Chem-Bio Informatics Journal Pub Date : 2024-02-13 DOI: 10.1273/cbij.24.1
Hiroshi Iijima
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引用次数: 0
Enzyme Kinetics Based on the Concept of Flux 基于通量概念的酶动力学
IF 0.3
Chem-Bio Informatics Journal Pub Date : 2024-02-13 DOI: 10.1273/cbij.24.1
Hiroshi Iijima
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引用次数: 0
Application of Model Core Potentials to Zn- and Mg-containing Metalloproteins in the Fragment Molecular Orbital Method 模型核电位在含锌和含镁金属蛋白片段分子轨道法中的应用
IF 0.3
Chem-Bio Informatics Journal Pub Date : 2023-07-20 DOI: 10.1273/cbij.23.14
Koichiro Kato, Ami Yamamoto, C. Watanabe, Kaori Fukuzawa
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引用次数: 0
How Beneficial or Threatening is Artificial Intelligence? 人工智能是有益的还是有威胁的?
IF 0.3
Chem-Bio Informatics Journal Pub Date : 2023-02-20 DOI: 10.1273/cbij.23.7
T. Takagi
{"title":"How Beneficial or Threatening is Artificial Intelligence?","authors":"T. Takagi","doi":"10.1273/cbij.23.7","DOIUrl":"https://doi.org/10.1273/cbij.23.7","url":null,"abstract":"","PeriodicalId":40659,"journal":{"name":"Chem-Bio Informatics Journal","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2023-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84524533","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}
引用次数: 0
Difficulties and prospects of data curation for ADME in silico modeling 计算机建模中ADME数据管理的困难与展望
IF 0.3
Chem-Bio Informatics Journal Pub Date : 2023-01-13 DOI: 10.1273/cbij.23.1
Tsuyoshi Esaki, Kazuyoshi Ikeda
{"title":"Difficulties and prospects of data curation for ADME in silico modeling","authors":"Tsuyoshi Esaki, Kazuyoshi Ikeda","doi":"10.1273/cbij.23.1","DOIUrl":"https://doi.org/10.1273/cbij.23.1","url":null,"abstract":"","PeriodicalId":40659,"journal":{"name":"Chem-Bio Informatics Journal","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2023-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76031728","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}
引用次数: 0
Multiple Logistic Regression Modeling of Compound Class as Active or Inactive Against COX-2 and Prediction on Designed Coxib Derivatives and Similar Compounds 抗COX-2活性或非活性化合物类别的多元Logistic回归模型及设计的Coxib衍生物和类似化合物的预测
IF 0.3
Chem-Bio Informatics Journal Pub Date : 2022-10-31 DOI: 10.1273/cbij.22.63
Liza T. Billones*, Alex C. Gonzaga
{"title":"Multiple Logistic Regression Modeling of Compound Class as Active or Inactive Against COX-2 and Prediction on Designed Coxib Derivatives and Similar Compounds","authors":"Liza T. Billones*, Alex C. Gonzaga","doi":"10.1273/cbij.22.63","DOIUrl":"https://doi.org/10.1273/cbij.22.63","url":null,"abstract":"","PeriodicalId":40659,"journal":{"name":"Chem-Bio Informatics Journal","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2022-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87676533","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}
引用次数: 2
Fragment molecular orbital calculations containing Mg2+ ions: PPlase domain of Cyclophilin G 含Mg2+离子的片段分子轨道计算:亲环蛋白G的PPlase结构域
IF 0.3
Chem-Bio Informatics Journal Pub Date : 2022-09-16 DOI: 10.1273/cbij.22.55
Masayasu Fujii, C. Watanabe, Kaori Fukuzawa, S. Tanaka
{"title":"Fragment molecular orbital calculations containing Mg2+ ions: PPlase domain of Cyclophilin G","authors":"Masayasu Fujii, C. Watanabe, Kaori Fukuzawa, S. Tanaka","doi":"10.1273/cbij.22.55","DOIUrl":"https://doi.org/10.1273/cbij.22.55","url":null,"abstract":"","PeriodicalId":40659,"journal":{"name":"Chem-Bio Informatics Journal","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2022-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76597932","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}
引用次数: 1
Prediction Models for Fraction of Absorption and Membrane Permeability using Mordred Descriptors 利用莫德雷德描述符的吸收分数和膜透性预测模型
IF 0.3
Chem-Bio Informatics Journal Pub Date : 2022-09-09 DOI: 10.1273/cbij.22.46
Tsuyoshi Esaki, Tomoki Yonezawa, Daisuke Yamazaki, Kazuyoshi Ikeda
{"title":"Prediction Models for Fraction of Absorption and Membrane Permeability using Mordred Descriptors","authors":"Tsuyoshi Esaki, Tomoki Yonezawa, Daisuke Yamazaki, Kazuyoshi Ikeda","doi":"10.1273/cbij.22.46","DOIUrl":"https://doi.org/10.1273/cbij.22.46","url":null,"abstract":"","PeriodicalId":40659,"journal":{"name":"Chem-Bio Informatics Journal","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2022-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81290117","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}
引用次数: 0
Benchmark of 3D conformer generation and molecular property calculation for medium-sized molecules 中型分子三维构象生成及分子性质计算基准
IF 0.3
Chem-Bio Informatics Journal Pub Date : 2022-09-02 DOI: 10.1273/cbij.22.38
Tomoki Yonezawa, Tsuyoshi Esaki, Kazuyoshi Ikeda
{"title":"Benchmark of 3D conformer generation and molecular property calculation for medium-sized molecules","authors":"Tomoki Yonezawa, Tsuyoshi Esaki, Kazuyoshi Ikeda","doi":"10.1273/cbij.22.38","DOIUrl":"https://doi.org/10.1273/cbij.22.38","url":null,"abstract":"","PeriodicalId":40659,"journal":{"name":"Chem-Bio Informatics Journal","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2022-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89554396","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}
引用次数: 1
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