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Computational Biology and Chemistry, Volume 101
Volume 101, December 2022
- Emine Topcu
, Nashira H. Ridgeway, Kyle K. Biggar:
PeSA 2.0: A software tool for peptide specificity analysis implementing positive and negative motifs and motif-based peptide scoring. 107753 - Daniel Melo de Oliveira Campos
Exploiting reverse vaccinology approach for the design of a multiepitope subunit vaccine against the major SARS-CoV-2 variants. 107754 - Mehmet Burak Koca, Esmaeil Nourani, Ferda Abbasoglu, Ilknur Karadeniz, Fatih Erdogan Sevilgen:
Graph convolutional network based virus-human protein-protein interaction prediction for novel viruses. 107755 - Thitiya Boonma, Nattharuja Soikudrua, Bodee Nutho, Thanyada Rungrotmongkol, Nadtanet Nunthaboot:
Insights into binding molecular mechanism of hemagglutinin H3N2 of influenza virus complexed with arbidol and its derivative: A molecular dynamics simulation perspective. 107764 - Cong Shen
BAT-Net: An enhanced RNA Secondary Structure prediction via bidirectional GRU-based network with attention mechanism. 107765 - Joseph Adams, Kwasi Agyenkwa-Mawuli, Odame Agyapong, Michael D. Wilson, Samuel K. Kwofie
EBOLApred: A machine learning-based web application for predicting cell entry inhibitors of the Ebola virus. 107766 - Elham Pashaei
Mutation-based Binary Aquila optimizer for gene selection in cancer classification. 107767 - Zhihua Du, Xing Zhong, Fangzhong Wang, Vladimir N. Uversky:
Inference of gene regulatory networks based on the Light Gradient Boosting Machine. 107769 - Zhi-Wen Ma, Jianping Zhao, Jing Tian, Chun-Hou Zheng:
DeeProPre: A promoter predictor based on deep learning. 107770 - Claudia Lang, Harris T. Lin
In Silico analysis of the sequence and structure of plant microRNAs packaged in extracellular vesicles. 107771 - Anasuya Bhargav, Srijanee Gupta, Surabhi Seth, Sweety James, Firdaus Fatima
Knowledgebase of potential multifaceted solutions to antimicrobial resistance. 107772 - M. A. Hakim Newton
Constraint Guided Beta-Sheet Refinement for Protein Structure Prediction. 107773 - Madiha Sardar, Komal Zia, Sajda Ashraf, Hira Noor Malik, Almas Jabeen, Khalid Mohammed Khan, Zaheer-ul-Haq:
Interface inhibitory action on Interleukin-1β using selected anti-inflammatory compounds to mitigate the depression: A computational investigation. 107774 - D. M. Makarov, Yu. A. Fadeeva, E. A. Safonova, L. E. Shmukler:
Predictive modeling of antibacterial activity of ionic liquids by machine learning methods. 107775 - Upendra Nayek
Computational investigations of indanedione and indanone derivatives in drug discovery: Indanone derivatives inhibits cereblon, an E3 ubiquitin ligase component. 107776 - P. C. Sumayya, V. K. Jalala, T. K. Shameera Ahammed, K. Muraleedharan:
Visualization of UV and ECD spectra of E&Z isomers of N-(4′-Hydroxy-cinnamoyl)- 5- hydroxyanthranilic acid. 107777 - Veysel Gider
Instruction of molecular structure similarity and scaffolds of drugs under investigation in ebola virus treatment by atom-pair and graph network: A combination of favipiravir and molnupiravir. 107778 - Moola M. Nyambe
A DFT and molecular docking study of xerantholide and its interaction with Neisseria gonorrhoeae carbonic anhydrase. 107779 - Yongqing Zhang
Multiple Sequence Alignment based on deep Q network with negative feedback policy. 107780 - Aparna Chaturvedi, Anup Som
The LCNetWork: An electronic representation of the mRNA-lncRNA-miRNA regulatory network underlying mechanisms of non-small cell lung cancer in humans, and its explorative analysis. 107781 - Xiaoliang Wang
Non-kin selection enhances complexity in cooperation: A unified quantitative law. 107782 - Magdalena Slusarz
Molecular insights into the mechanism of sugar-modified enkephalin binding to opioid receptors. 107783 - Jubairul Islam, Himadree Sarkar, Hammadul Hoque, Md. Nazmul Hasan
In-silico approach of identifying novel therapeutic targets against Yersinia pestis using pan and subtractive genomic analysis. 107784 - Stefan Dobrev, Nikoleta Kircheva, Valya Nikolova, Silvia Angelova
Competition between Ag+ and Ni2+ in nickel enzymes: Implications for the Ag+ antibacterial activity. 107785 - Yiheng Wu, Shizun Wang
Selectivity mechanism of GRK2/5 inhibition through in silico investigation. 107786 - Vivek K. Vyas, Tanvi Shukla, Kartik Tulsian, Manmohan Sharma
Integrated structure-guided computational design of novel substituted quinolizin-4-ones as Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors. 107787
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