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ORCIDComputational Biology and Chemistry, Volume 95
Volume 95, December 2021
- Yao Wu, Donghua Zhu, Xuefeng Wang
, Shuo Zhang:
An ensemble learning framework for potential miRNA-disease association prediction with positive-unlabeled data. 107566 - Mokhtar Nosrati, Jafar amani:
In silico screening of ssDNA aptamer against Escherichia coli O157: H7: A machine learning and the Pseudo K-tuple nucleotide composition based approach. 107568 - Davor Juretic, Zeljana Bonacic Losic:
Comments on 'Flexibility of enzymatic transitions as a hallmark of optimized enzyme steady-state kinetics and thermodynamics'. 107571 - Marko Sterk, Rene Markovic, Marko Marhl, Ales Fajmut, Andrej Dobovisek:
Response to "Comments on the paper 'Flexibility of enzymatic transitions as a hallmark of optimized enzyme steady-state kinetics and thermodynamics'". 107572 - Aleksandar Loncar, Luka Negrojevic, Jasmina M. Dimitric Markovic, Dusan Dimic:
The reactivity of neurotransmitters and their metabolites towards various nitrogen-centered radicals: Experimental, theoretical, and biotoxicity evaluation. 107573 - Manish Datt:
Interplay of substrate polymorphism and conformational plasticity of Plasmodium tyrosyl-tRNA synthetase. 107582 - Shengli Zhang, Hongyan Shi:
iR5hmcSC: Identifying RNA 5-hydroxymethylcytosine with multiple features based on stacking learning. 107583 - Mohamed E. M. Elhaj-Abdou, Hassan El-Dib, Amr El-Helw, Mohamed El-Habrouk:
Deep_CNN_LSTM_GO: Protein function prediction from amino-acid sequences. 107584 - Abazar Arabameri, Arash Pourgholaminejad:
Modeling codelivery of CD73 inhibitor and dendritic cell-based vaccines in cancer immunotherapy. 107585 - Xiaohan Li, Bing Zhang, Kequan Yu, Zhenshen Bao, Weizhong Zhang, Yunfei Bai:
Identifying cancer specific signaling pathways based on the dysregulation between genes. 107586 - Md Shahedul Alam, Md. Abu Saleh, Md. Mozibullah, Ashik Tanvir Riham, Md. Solayman, Siew Hua Gan:
Computational algorithmic and molecular dynamics study of functional and structural impacts of non-synonymous single nucleotide polymorphisms in human DHFR gene. 107587 - Abhigyan Nath:
Prediction for understanding the effectiveness of antiviral peptides. 107588 - Atefeh Naseri, Mehran Sharghi, Seyed Mohammad Hossein Hasheminejad:
Enhancing gene regulatory networks inference through hub-based data integration. 107589 - Antistio Aviz-Amador, Neyder Contreras-Puentes, Jairo Mercado-Camargo:
Virtual screening using docking and molecular dynamics of cannabinoid analogs against CB1 and CB2 receptors. 107590 - Rizwan Ashraf, Maria Javed, Tugba Taskin Tok, Raziya Nadeem, Muhammad Kashif Javaid, Mohamed El-Naggar, Othman M. Alzahrani, Samy F. Mahmoud:
Design, DFT studies, antimicrobial and antioxidant potential of Binuclear N-heterocyclic Carbene (NHCs) complexes, Probing the aspect of DNA interaction through In-vitro and In-silico approach. 107591 - Oluwole B. Akawa, Opeyemi S. Soremekun, Fisayo A. Olotu, Mahmoud E. S. Soliman:
Atomistic insights into the selective therapeutic activity of 6-(2, 4-difluorophenoxy)-5-((ethylmethyl)pyridine-3-yl)-8-methylpyrrolo[1, 2-a]pyrazin-1(2H)-one towards bromodomain-containing proteins. 107592 - Richa Dhanuka, Jyoti Prakash Singh:
Protein function prediction using functional inter-relationship. 107593 - Archana Pal, Shefali Dobhal, Kishore Kumar Dey, Anish Kumar Sharma, Vivek Savani, Vishal Singh Negi:
Polymorphic landscape of SARS-CoV-2 genomes isolated from Indian population in 2020 demonstrates rapid evolution in ORF3a, ORF8, nucleocapsid phosphoprotein and spike glycoprotein. 107594 - Marzieh Ajamgard, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, Mahrokh Rezaei Kamelabad:
Molecular dynamics simulation study of gold nanosheet as drug delivery vehicles for anti-HIV-1 aptamers. 107595 - Hannah-Marie Martiny, José Juan Almagro Armenteros, Alexander Rosenberg Johansen, Jesper Salomon, Henrik Nielsen:
Deep protein representations enable recombinant protein expression prediction. 107596 - Oky Hermansyah, Alhadi Bustamam, Arry Yanuar:
Virtual screening of dipeptidyl peptidase-4 inhibitors using quantitative structure-activity relationship-based artificial intelligence and molecular docking of hit compounds. 107597 - Xinghua Tang, Jing Liu, Jingjing Zhu, Lihai Zhou, Yining Zhang:
Multi-swarm UPSO algorithm based on seed strategy for atomic clusters structure optimization. 107598 - Lifei Ma, Huiyang Li, Jinping Lan, Xiuqing Hao, Huiying Liu, Xiaoman Wang, Yong Huang:
Comprehensive analyses of bioinformatics applications in the fight against COVID-19 pandemic. 107599 - Yuvaraj Sivamani, Dhivya Shanmugarajan, T. Durai Ananda Kumar, Syed Faizan, Bhavya Channappa, Namburu Lalitha Naishima, B. R. Prashantha Kumar:
A promising in silico protocol to develop novel PPARγ antagonists as potential anticancer agents: Design, synthesis and experimental validation via PPARγ protein activity and competitive binding assay. 107600
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