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ORCIDComputational Biology and Chemistry, Volume 98
Volume 98, June 2022
- Mohsin Sattar, Abdul Majid, Nabeela Kausar, Muhammad Bilal
, Muhammad Kashif:
Lung cancer prediction using multi-gene genetic programming by selecting automatic features from amino acid sequences. 107638 - Zubair Ahmad, Sherif A. El-Kafrawy, Thamir A. Alandijany, Francesco Giannino, Ahmed A. Mirza, Mai M. El-Daly, Arwa A. Faizo, Leena H. Bajrai, Mohammad Amjad Kamal, Esam I. Azhar:
A global report on the dynamics of COVID-19 with quarantine and hospitalization: A fractional order model with non-local kernel. 107645 - Yongqing Zhang, Meng Lin, Yihan Yang, Chunli Ding:
A hybrid ensemble and evolutionary algorithm for imbalanced classification and its application on bioinformatics. 107646 - Usman Ghani, Sajda Ashraf, Zaheer-ul-Haq, Zafer Asim Kaplancikli, Fatih Demirci, Yusuf Özkay, Sibtain Afzal:
Thiazole inhibitors of α-glucosidase: Positional isomerism modulates selectivity, enzyme binding and potency of inhibition. 107647 - Yimin Li, Yaqi Li, Chao Ning, Jianda Yue, Cheng Zhang, Xiao He, Ying Wang, Zhonghua Liu:
Discovering inhibitors of TEAD palmitate binding pocket through virtual screening and molecular dynamics simulation. 107648 - Lukás Bucinský, Dusan Bortnák, Marián Gall, Ján Matúska, Viktor Milata, Michal Pitonák, Marek Steklác, Daniel Végh, Dávid Zajacek:
Machine learning prediction of 3CLpro SARS-CoV-2 docking scores. 107656 - Hakan Alici, Hakan Tahtaci, Kadir Demir:
Design and various in silico studies of the novel curcumin derivatives as potential candidates against COVID-19 -associated main enzymes. 107657 - Erennur Ugurel, Sinem Kocer, Emrah Sariyer, Ozal Mutlu, Tugba Gul Inci, Osman Mutluhan Ugurel, Dilek Turgut-Balik:
Heterologous expression, biochemical characterisation and computational analysis of Bacteroides fragilis enolase. 107658 - Muhammad Ali Nayeem, Md. Shamsuzzoha Bayzid, Naser Anjum Samudro, Mohammad Saifur Rahman, M. Sohel Rahman:
PASTA with many application-aware optimization criteria for alignment based phylogeny inference. 107661 - Wajid Arshad Abbasi, Syeda Adin Ajaz, Kinza Arshad, Sidra Liaqat, Saiqa Andleeb, Maryum Bibi, Syed Ali Abbas:
SIP: A computational prediction of S-Adenosyl methionine (SAM) interacting proteins and their interaction sites through primary structures. 107662 - Mosé Casalegno, Guido Sello:
Modelling the transport mechanism of organic molecules into cell membranes: The role of organic solvents. 107663 - Jiansheng Wu, Chuangchuang Lan, Zheming Mei, Xiaohuyan Chen, Yanxiang Zhu, Haifeng Hu, Yemin Diao:
Transfer learning with molecular graph convolutional networks for accurate modeling and representation of bioactivities of ligands targeting GPCRs without sufficient data. 107664 - Reza Alibakhshi, Mohsen Kazeminia, Keivan Moradi:
The pathogenicity classification of PAH gene variants in the Iranian population. 107665 - Mourad Fawzi, Ali Oubella, Abdoullah Bimoussa, Fatima Zahra Bamou, Zein Alabdeen Khdar, Aziz Auhmani, Abdelkhalek Riahi, Anthony Robert, Hamid Morjani, My Youssef Ait Itto:
Design, synthesis, evaluation of new 3-acetylisoxazolines and their hybrid analogous as anticancer agents: In vitro and in silico analysis. 107666 - J. Rogelio Perez-Buendia, Yuriria Cortes-Poza, Pablo Padilla-Longoria:
Epigenetic forest and flower morphogenesis. 107667 - Georcki Ropón-Palacios, Jhon Pérez-Silva, Ricardo Rojas-Humpire, Gustavo E. Olivos-Ramirez, Manuel E. Chenet-Zuta, Victor Cornejo-Villanueva, Sheyla Carmen-Sifuentes, Kewin Otazu, Yaritza L. Ramirez-Díaz, Karolyn Vega Chozo, Ihosvany Camps:
Glycosylation is key for enhancing drug recognition into spike glycoprotein of SARS-CoV-2. 107668 - Muhammad Mazhar Fareed, Sana Ullah, Shan Aziz, Todd Axel Johnsen, Sergey Shityakov:
In-silico analysis of non-synonymous single nucleotide polymorphisms in human β-defensin type 1 gene reveals their impact on protein-ligand binding sites. 107669 - Zhongqing Zhang, Qiqi Jiao, Yang Zhang, Bo Liu, Yadong Wang, Junyi Li:
OTUCD: Unsupervised GCN based metagenomics non-overlapping community detection. 107670 - Lucas Prescott:
SARS-CoV-2 3CLpro whole human proteome cleavage prediction and enrichment/depletion analysis. 107671 - Hafsa Binte Kibria, Abdul Matin:
The severity prediction of the binary and multi-class cardiovascular disease - A machine learning-based fusion approach. 107672 - Jenifer Mallavarpu Ambrose, Daniel Alex Anand, Kullappan Malathi, Sardar Hussain, Kavin Mozhi James, Radhika Nalinakumari Sreekandan, Sumetha Suga Deiva Suga, Devakumar Kamaraj, Vishnu Priya Veeraraghavan, Surapaneni Krishna Mohan:
A Computational approach to screen, predict and annotate human and chimpanzee PHEX intronic miRNAs, their gene targets, and regulatory interaction networks. 107673 - Dmitry A. Karasev, Boris Sobolev, Alexey Lagunin, Dmitry Filimonov, Vladimir Poroikov:
The method predicting interaction between protein targets and small-molecular ligands with the wide applicability domain. 107674 - Vishal Kumar Singh, Richa Mishra, Priyanka Kumari, Anup Som, Aditya K. Yadav, Nand K. Ram, Pradeep Kumar, Dominique Schols, Ramendra K. Singh:
In silico design, synthesis and anti-HIV activity of quinoline derivatives as non-nucleoside reverse transcriptase inhibitors (NNRTIs). 107675 - Malikeh Nabaei:
Cerebral aneurysm evolution modeling from microstructural computational models to machine learning: A review. 107676 - Pradeep Kumar Anand, Arbind Kumar, Amrit Saini, Jagdeep Kaur:
Mutation in Eth A protein of Mycobacterium tuberculosis conferred drug tolerance against enthinoamide in Mycobacterium smegmatis mc2155. 107677 - Asghar Atifa, Muhammad Altaf Khan, Kulpash Iskakova, Fuad S. Al-Duais, Irshad Ahmad:
Mathematical modeling and analysis of the SARS-Cov-2 disease with reinfection. 107678 - P. W. C. M. Purijjala, P. V. G. M. Rathnayake, B. T. Kumara, B. C. M. Gunathunge, R. A. A. P. Ranasinghe, D. N. Karunaratne, R. J. K. U. Ranatunga:
Multiscale modeling of the cellular uptake of C6 peptide-siRNA complexes. 107679 - Yu He, Shunfang Wang:
SE-BLTCNN: A channel attention adapted deep learning model based on PSSM for membrane protein classification. 107680 - Ayse Ulgen, Sirin Cetin, Meryem Cetin, Hakan Sivgin, Wentian Li:
A composite ranking of risk factors for COVID-19 time-to-event data from a Turkish cohort. 107681 - Neha Jain, Md Fulbabu Sk, Amit Mishra, Parimal Kar, Amit Kumar:
Identification of novel efflux pump inhibitors for Neisseria gonorrhoeae via multiple ligand-based pharmacophores, e-pharmacophore, molecular docking, density functional theory, and molecular dynamics approaches. 107682 - Sareena Rose, S. Nickolas, S. Sangeetha:
Effective prediction of soil micronutrients using Additive Gaussian process with RAM augmentation. 107683 - Vigneshwaran Kannan, Ramesh Anishetty, S. R. Hassan:
Optimal transport technique to understand peptide conformations. 107684 - Antara Sengupta, Subhadip Chakraborty, Pabitra Pal Choudhury:
Chemical characterizations of neurotransmission receptors of human and plant to unfold the evolutionary relationships among them. 107685 - L. Ponoop Prasad Patro, Thenmalarchelvi Rathinavelan:
STRIDER: Steric hindrance and metal coordination identifier. 107686 - Premnath Madanagopal, Harshini Muthukumar, Kothai Thiruvengadam:
Computational study and design of effective siRNAs to silence structural proteins associated genes of Indian SARS-CoV-2 strains. 107687 - Pinar Cihan, Zeynep Banu Ozger:
A new approach for determining SARS-CoV-2 epitopes using machine learning-based in silico methods. 107688 - Chun Li, Jinxin Dong, Jing Li, Wen Zhu, Peng Wang, Yuhua Yao, Chuanan Wei, Henry Han:
Deciphering landscape dynamics of cell fate decision via a Lyapunov method. 107689 - Peng Xu, Xianbin Li, Yijun Liang, Zhenshen Bao, Fengyue Zhang, Lili Gu, Saeed Kosari, Wenbin Liu:
PmiRtarbase: A positive miRNA-target regulations database. 107690 - Jayanta Kumar Das, Christian Heryakusuma, Dwi Susanti, Pabitra Pal Choudhury, Biswarup Mukhopadhyay:
Reduced protein sequence patterns in identifying key structural elements of dissimilatory sulfite reductase homologs. 107691 - Xiaoxiao You, Xiuzhen Hu, Zhenxing Feng, Ziyang Wang, Sixi Hao, Caiyun Yang:
Recognizing protein-metal ion ligands binding residues by random forest algorithm with adding orthogonal properties. 107693 - Mahdi Vasighi, Julia Romanova, Miroslava Nedyalkova:
A multilevel approach for screening natural compounds as an antiviral agent for COVID-19. 107694 - Anaí León Madrazo, Maira Rubi Segura Campos:
In silico prediction of peptide variants from chia (S. hispanica L.) with antimicrobial, antibiofilm, and antioxidant potential. 107695 - Joyeeta Chakraborty, Rudra Prasad Roy, Raghunath Chatterjee, Probal Chaudhuri:
Performance assessment of genomic island prediction tools with an improved version of Design-Island. 107698
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