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Computational Biology and Chemistry, Volume 89

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Volume 89, December 2020

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  - journals/candc/PaszekTG20
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Jaroslaw Paszek, Jerzy Tiuryn, Pawel Górecki:
Minimizing genomic duplication episodes. 107260
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  - journals/candc/RenGLZK20
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Liang-Rui Ren, Ying-Lian Gao, Jin-Xing Liu, Rong Zhu, Xiang-Zhen Kong:
L_{2, 1}-Extreme Learning Machine: An Efficient Robust Classifier for Tumor Classification. 107368
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Yijie Ding, Limin Jiang, Jijun Tang, Fei Guo:
Identification of human microRNA-disease association via hypergraph embedded bipartite local model. 107369
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  - journals/candc/GhasemiKfA20
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Tayyebeh Ghasemi, Mohammad Khalaj-Kondori, Mohammad Ali Hosseinpour feizi, Parviz Asadi:
lncRNA-miRNA-mRNA interaction network for colorectal cancer; An in silico analysis. 107370
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  - journals/candc/SunHZLYZ20
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Zijie Sun, Shenghui Huang, Lei Zheng, Pengfei Liang, Wuritu Yang, Yongchun Zuo:
ICTC-RAAC: An improved web predictor for identifying the types of ion channel-targeted conotoxins by using reduced amino acid cluster descriptors. 107371
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Julia Liang, Chris Karagiannis, Eleni Pitsillou, Kevion K. Darmawan, Ken Ng, Andrew Hung, Tom C. Karagiannis:
Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface. 107372
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Wentian Li, Donald Hamelberg:
Editorial. 107373
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Yue Wang, Yani Wei, Yingying Zhang, Luhui Wang, Yafei Dong:
Enzyme-free and DNA-based universal platform for the construction of various logic devices based on graphene oxide and G-quadruplex. 107374
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Minjee Kim, Young Bong Kim:
A network-based pharmacology study of active compounds and targets of Fritillaria thunbergii against influenza. 107375
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  - journals/candc/MirzaAAF20
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Muhammad Usman Mirza, Sarfraz Ahmad, Iskandar Abdullah, Matheus Froeyen:
Identification of novel human USP2 inhibitor and its putative role in treatment of COVID-19 by inhibiting SARS-CoV-2 papain-like (PLpro) protease. 107376
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  - journals/candc/AlsenanAH20
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Shrooq Alsenan, Isra Al-Turaiki, Alaaeldin M. Hafez:
A Recurrent Neural Network model to predict blood-brain barrier permeability. 107377
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  - journals/candc/AnwarSAARFKAMA20
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Fareeha Anwar, Uzma Saleem, Bashir Ahmad, Muhammad Ashraf, Ata Ur Rehman, Matheus Froeyen, Lee Yean Kee, Iskandar Abdullah, Muhammad Usman Mirza, Sarfraz Ahmad:
New naphthalene derivative for cost-effective AChE inhibitors for Alzheimer's treatment: In silico identification, in vitro and in vivo validation. 107378
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Zhihua Du, Yufeng He, Jianqiang Li, Vladimir N. Uversky:
DeepAdd: Protein function prediction from k-mer embedding and additional features. 107379
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  - journals/candc/MehmoodNAFRK20
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Asim Mehmood, Samar Naseer, Amjad Ali, Hina Fatimah, Shazia Rehman, Aysha Karim Kiani:
Identification of novel vaccine candidates against carbapenem resistant Klebsiella pneumoniae: A systematic reverse proteomic approach. 107380
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  - journals/candc/Ruiz-HernandezP20
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Ubaldo Emilio Ruiz-Hernández, Leda Ivonne Pelcastre-Rodriguez, Omar Alejandro Cabrero-Martínez, Cecilia Hernández-Cortez, Graciela Castro-Escarpulli:
Analysis of CRISPR-Cas systems in Gardnerella suggests its potential role in the mechanisms of bacterial vaginosis. 107381
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Sarmad Mehmood, Rubina Dad, Arsalan Ahmad, Muhammad Ikram Ullah, Peter John, Amjad Ali, Christian A. Hubner, Aisha Mohyuddin, Muhammad Jawad Hassan:
Structural and functional annotation of PR/SET Domain (PRDM) protein family: In-silico study elaborating role of PRDM12 mutation in congenital insensitivity to pain. 107382
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Da-Ping Yang, Wan-Ying Huang, Gang Chen, Shang-Wei Chen, Jie Yang, Rong-Quan He, Su-Ning Huang, Ting-Qing Gan, Jie Ma, Lin-Jie Yang, Jian-Hua Song, Jun-Xian Mo, Zhong-Qing Tang, Chang-Bo Li, Hua-Fu Zhou, Jin-Liang Kong:
Clinical significance of transcription factor RUNX2 in lung adenocarcinoma and its latent transcriptional regulating mechanism. 107383
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Chenglong Wang, Xiaohui Lv, Wen Liu, Song Liu, Zongxi Sun:
Uncovering the pharmacological mechanism of motherwort (Leonurus japonicus Houtt.) for treating menstrual disorders: A systems pharmacology approach. 107384
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Yong Li, Xue-Yu Chen, Wei-Min Gu, Hai-Ming Qian, Yuan Tian, Jie Tang, Ting Cheng:
A meta-analysis of tumor necrosis factor (TNF) gene polymorphism and susceptibility to influenza A (H1N1). 107385
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  - journals/candc/AkshayaAS20
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R. L. Akshaya, N. Akshaya, N. Selvamurugan:
A computational study of non-coding RNAs on the regulation of activating transcription factor 3 in human breast cancer cells. 107386
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Ying Zhang, Zhigui Dong, Jiao Han, Zhang Wei:
Improved pharmacological properties of nitrotyrosine drug via fluorination: A theoretical study. 107395
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Yuan-Yuan Shi, Ying-Qi Li, Xiang Xie, Yu-Ting Zhou, Qian Zhang, Jia-Lin Yu, Ping Li, Na Mi, Fei Li:
Homotherapy for heteropathy active components and mechanisms of Qiang-Huo-Sheng-Shi decoction for treatment of rheumatoid arthritis and osteoarthritis. 107397
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Sezen Spahi, Ozal Mutlu, Emrah Sariyer, Sinem Kocer, Erennur Ugurel, Dilek Turgut-Balik:
Hit identification against peptidyl-prolyl isomerase of Theileria annulata by combined virtual high-throughput screening and molecular dynamics simulation approach. 107398
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Sabyasachi Patra, Anjali Mohapatra:
Protein complex prediction in interaction network based on network motif. 107399
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  - journals/candc/SrivastavaGNGYS20
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Ritika Srivastava, Sunil K. Gupta, Farha Naaz, Parth Sarthi Sen Gupta, Madhu Yadav, Vishal Kumar Singh, Anuradha Singh, Malay Kumar Rana, Satish Kumar Gupta, Dominique Schols, Ramendra K. Singh:
Alkylated benzimidazoles: Design, synthesis, docking, DFT analysis, ADMET property, molecular dynamics and activity against HIV and YFV. 107400
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Tianyue Zhang, Haowu Chang, Borui Zhang, Sifei Liu, Tianheng Zhao, Enshuang Zhao, Hengyi Zhao, Hao Zhang:
Transboundary Pathogenic microRNA Analysis Framework for Crop Fungi Driven by Biological Big Data and Artificial Intelligence Model. 107401
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  - journals/candc/LimKRCLLC20
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Leonard Whye Kit Lim, Cynthia Keranti Anak Kamar, Jill Sela Roja, Hung Hui Chung, Yunshi Liao, Tommy Tsan-Yuk Lam, Yee Ling Chong:
Sequencing and characterisation of complete mitogenome DNA for Rasbora sarawakensis (Cypriniformes: Cyprinidae: Rasbora) with phylogenetic consideration. 107403
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Burcu Biterge Süt:
Computational analysis of TP53 vs. CTNNB1 mutations in hepatocellular carcinoma suggests distinct cancer subtypes with differential gene expression profiles and chromatin states. 107404
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Wei Wang, Xiaoqing Guan, Muhammad Tahir Khan, Yi Xiong, Dong-Qing Wei:
LMI-DForest: A deep forest model towards the prediction of lncRNA-miRNA interactions. 107406
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  - journals/candc/PitsillouLKVDNH20
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Eleni Pitsillou, Julia Liang, Chris Karagiannis, Katherine Ververis, Kevion K. Darmawan, Ken Ng, Andrew Hung, Tom C. Karagiannis:
Interaction of small molecules with the SARS-CoV-2 main protease in silico and in vitro validation of potential lead compounds using an enzyme-linked immunosorbent assay. 107408
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  - journals/candc/BaillyV20a
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Christian Bailly, Gérard Vergoten:
Interaction of fumigaclavine C with High Mobility Group Box 1 protein (HMGB1) and its DNA complex: A computational approach. 107409

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