JournalTOCs

Computational Biology and Chemistry
Journal Prestige (SJR): 0.538

Citation Impact (citeScore): 2
Number of Followers: 13

Hybrid journal (It can contain Open Access articles)
ISSN (Print) 1476-9271 - ISSN (Online) 1476-9271
Published by Elsevier

[2906 journals]

Stable H-bond networks are crucial for selective CDK4 inhibition revealed
from comprehensive in silico investigation
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  Abstract: Publication date: Available online 24 May 2022Source: Computational Biology and ChemistryAuthor(s): Zhigang Zhang, Baichun Hu, Johnson Joseph, Ying Wang, Jianping Mao, Haoyu Zhang, Qi Ma, Yaoliang Zhang, Jian Wang
Bias Correction for Multiple Covariate Analysis Using Empirical Bayesian
Estimation in Mixed-effects Models for Longitudinal Data
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  Abstract: Publication date: Available online 23 May 2022Source: Computational Biology and ChemistryAuthor(s): Yi Li, Yaning Yang, Xu Steven Xu, Min Yuan, for the Alzheimer’s Disease Neuroimaging Initiative
Enhancing Protein Contact Map Prediction Accuracy via Ensembles of
Inter-Residue Distance Predictors
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  Abstract: Publication date: Available online 23 May 2022Source: Computational Biology and ChemistryAuthor(s): M A Hakim Newton, Julia Rahman, Rianon Zaman, Abdul Sattar
Cipher Constrained Encoding for constraint optimization in Extended
Nucleic Acid Memory
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  Abstract: Publication date: Available online 21 May 2022Source: Computational Biology and ChemistryAuthor(s): Saptarshi Biswas, Sumagna Dey, Pradyuth Nath, Subhrapratim Nath
In silico prediction of peptide variants from chia (S. hispanica L.) with
antimicrobial, antibiofilm, and antioxidant potential
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  Abstract: Publication date: Available online 18 May 2022Source: Computational Biology and ChemistryAuthor(s): Anaí León Madrazo, Maira Rubi Segura Campos
Performance Assessment of Genomic Island Prediction Tools with an Improved
Version of Design-Island
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  Abstract: Publication date: Available online 17 May 2022Source: Computational Biology and ChemistryAuthor(s): Joyeeta Chakraborty, Rudra Prasad Roy, Raghunath Chatterjee, Prabal Chaudhuri
Interaction of the New Inhibitor Paxlovid (PF-07321332) and Ivermectin
With the Monomer of the Main Protease SARS-CoV-2: A Volumetric Study Based
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  Abstract: Publication date: Available online 14 May 2022Source: Computational Biology and ChemistryAuthor(s): Ysaias José Alvarado, Yosmari Olivarez, Carla Lossada, Joan Vera-Villalobos, José Luis Paz, Eddy Vera, Marcos Loroño, Alejandro Vivas, Fernando Javier Torres, Laura N. Jeffreys, María Laura Hurtado-León, Lenin González-Paz
A multilevel approach for screening natural compounds as an antiviral
agent for COVID-19
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  Abstract: Publication date: Available online 11 May 2022Source: Computational Biology and ChemistryAuthor(s): Mahdi Vasighi, Julia Romanova, Miroslava Nedyalkova
Recognizing Protein-metal Ion Ligands Binding Residues by Random Forest
Algorithm with Adding Orthogonal Properties
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  Abstract: Publication date: Available online 10 May 2022Source: Computational Biology and ChemistryAuthor(s): Xiaoxiao You, Xiuzhen Hu, Zhenxing Feng, Ziyang Wang, Sixi Hao, Caiyun Yang
Reduced Protein Sequence Patterns in Identifying Key Structural Elements
of Dissimilatory Sulfite Reductase Homologs
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  Abstract: Publication date: Available online 30 April 2022Source: Computational Biology and ChemistryAuthor(s): Jayanta Kumar Das, Christian Heryakusuma, Dwi Susanti, Pabitra Pal Choudhury, Biswarup Mukhopadhyay
A new approach for determining SARS-CoV-2 epitopes using machine
learning-based in silico methods
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  Abstract: Publication date: Available online 30 April 2022Source: Computational Biology and ChemistryAuthor(s): Pınar Cihan, Zeynep Banu Ozger
Computational study and design of effective siRNAs to silence structural
proteins associated genes of Indian SARS-CoV-2 strains
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  Abstract: Publication date: Available online 29 April 2022Source: Computational Biology and ChemistryAuthor(s): Premnath Madanagopal, Harshini Muthukumar, Kothai Thiruvengadam
PmiRtarbase: a positive miRNA-target regulations database
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  Abstract: Publication date: Available online 29 April 2022Source: Computational Biology and ChemistryAuthor(s): Peng Xu, Xianbin Li, Yijun Liang, Zhenshen Bao, Fengyue Zhang, Lili Gu, Saeed Kosari, Wenbin Liu
Deciphering landscape dynamics of cell fate decision via a Lyapunov method
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  Abstract: Publication date: Available online 28 April 2022Source: Computational Biology and ChemistryAuthor(s): Chun Li, Jinxin Dong, Jing Li, Wen Zhu, Peng Wang, Yuhua Yao, Chuanan Wei, Henry Han
STRIDER: Steric hindrance and metal coordination identifier
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  Abstract: Publication date: Available online 22 April 2022Source: Computational Biology and ChemistryAuthor(s): L Ponoop Prasad Patro, Thenmalarchelvi Rathinavelan
Chemical characterizations of Neurotransmission Receptors of human and
plant to unfold the evolutionary relationships among them
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  Abstract: Publication date: Available online 21 April 2022Source: Computational Biology and ChemistryAuthor(s): Antara Sengupta, Subhadip Chakraborty, Pabitra Pal Choudhury
Optimal Transport Technique to Understand Peptide Conformations
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  Abstract: Publication date: Available online 20 April 2022Source: Computational Biology and ChemistryAuthor(s): Vigneshwaran Kannan, Ramesh Anishetty, S.R. Hassan
Effective Prediction of Soil micronutrients using Additive Gaussian
Process with RAM augmentation
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  Abstract: Publication date: Available online 20 April 2022Source: Computational Biology and ChemistryAuthor(s): Sareena Rose, S Nickolas, S Sangeetha
A Composite Ranking of Risk Factors for COVID-19 Time-To-Event Data from a
Turkish Cohort
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  Abstract: Publication date: Available online 9 April 2022Source: Computational Biology and ChemistryAuthor(s): Ayse Ulgen, Sirin Cetin, Meryem Cetin, Hakan Sivgin, Wentian Li
Multiscale Modeling of the Cellular Uptake of C6 Peptide-siRNA Complexes
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  Abstract: Publication date: Available online 6 April 2022Source: Computational Biology and ChemistryAuthor(s): 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
Mathematical modeling and analysis of the SARS-Cov-2 disease with
reinfection
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  Abstract: Publication date: Available online 6 April 2022Source: Computational Biology and ChemistryAuthor(s): Asma Asma, Muhammad Altaf Khan, Kulpash Iskakova, Fuad S. Al-Duais, Irshad Ahmad
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
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  Abstract: Publication date: Available online 6 April 2022Source: Computational Biology and ChemistryAuthor(s): Neha Jain, Md Fulbabu Sk, Amit Mishra, Parimal Kar, Amit Kumar
SE-BLTCNN: A Channel Attention Adapted Deep Learning Model Based on PSSM
for Membrane Protein Classification
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  Abstract: Publication date: Available online 6 April 2022Source: Computational Biology and ChemistryAuthor(s): Yu He, Shunfang Wang
A Computational approach to screen, predict and annotate human and
chimpanzee PHEX intronic miRNAs, their gene targets, and regulatory
interaction networks
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  Abstract: Publication date: Available online 5 April 2022Source: Computational Biology and ChemistryAuthor(s): Jenifer Mallavarpu Ambrose, Daniel Alex Anand, Malathi Kullappan, Sardar Hussain, Kavin Mozhi James, Radhika Nalinakumari Sreekandan, Sumetha Suga Deiva Suga, Devakumar Kamaraj, Vishnu Priya Veera Raghavan, Surapaneni Krishna Mohan
Mutation in Eth A protein of Mycobacterium tuberculosis conferred drug
tolerance against enthinoamide in Mycobacterium smegmatis mc2155
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  Abstract: Publication date: Available online 2 April 2022Source: Computational Biology and ChemistryAuthor(s): Pradeep Kumar Anand, Arbind Kumar, Amrit Saini, Jagdeep Kaur
Cerebral aneurysm evolution modeling from microstructural computational
models to machine learning: A review
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  Abstract: Publication date: Available online 2 April 2022Source: Computational Biology and ChemistryAuthor(s): Malikeh Nabaei
The method predicting interaction between protein targets and
small-molecular ligands with the wide applicability domain
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  Abstract: Publication date: Available online 1 April 2022Source: Computational Biology and ChemistryAuthor(s): Dmitry A. Karasev, Boris N. Sobolev, Alexey A. Lagunin, Dmitry A. Filimonov, Vladimir V. Poroikov
In Silico Design, Synthesis and Anti-HIV Activity of Quinoline Derivatives
as Non-Nucleoside Reverse Transcriptase Inhibitors (NNRTIs)r
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  Abstract: Publication date: Available online 31 March 2022Source: Computational Biology and ChemistryAuthor(s): Vishal K. Singh, Richa Mishra, Priyanka Kumari, Anup Som, Aditya K. Yadav, Nand K. Ram, Pradeep Kumar, Dominique Schols, Ramendra K. Singh
The Severity Prediction of The Binary And Multi-Class Cardiovascular
Disease - A Machine Learning-Based Fusion Approach
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  Abstract: Publication date: Available online 31 March 2022Source: Computational Biology and ChemistryAuthor(s): Hafsa Binte Kibria, Abdul Matin
SARS-CoV-2 3CLpro whole human proteome cleavage prediction and
enrichment/depletion analysis
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  Abstract: Publication date: Available online 28 March 2022Source: Computational Biology and ChemistryAuthor(s): Lucas Prescott
Glycosylation is key for enhancing drug recognition into spike
glycoprotein of SARS-CoV-2
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  Abstract: Publication date: June 2022Source: Computational Biology and Chemistry, Volume 98Author(s): Georcki Ropón-Palacios, Jhon Pérez-Silva, Ricardo Rojas-Humpire, Gustavo E. Olivos-Ramírez, Manuel Chenet-Zuta, Victor Cornejo-Villanueva, Sheyla Carmen-Sifuentes, Kewin Otazu, Yaritza L. Ramirez-Díaz, Karolyn Vega Chozo, Ihosvany Camps
In-silico analysis of non-synonymous single nucleotide polymorphisms in
human β-defensin type 1 gene reveals their impact on protein-ligand
binding sites
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  Abstract: Publication date: Available online 26 March 2022Source: Computational Biology and ChemistryAuthor(s): Muhammad Mazhar Fareed, Sana Ullah, Shan Aziz, Todd Axel Johnsen, Sergey Shityakov
Design, synthesis, evaluation of new 3-acetylisoxazolines and their hybrid
analogous as anticancer agents: In vitro and in silico analysis
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  Abstract: Publication date: Available online 24 March 2022Source: Computational Biology and ChemistryAuthor(s): Mourad Fawzi, Ali Oubella, Abdoullah Bimoussa, Fatima Zahra Bamou, Zein Alabdeen Khdar, Aziz Auhmani, Abdelkhalek Riahi, Anthony Robert, Hamid Morjani, My Youssef Ait Itto
OTUCD: UNSUPERVISED GCN BASED METAGENOMICS NON_OVERLAPPING COMMUNITY
DETECTION
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  Abstract: Publication date: Available online 24 March 2022Source: Computational Biology and ChemistryAuthor(s): Zhongqing Zhang, Qiqi Jiao, Yang Zhang, Bo Liu, Yadong Wang, Junyi Li
Epigenetic Forest and Flower Morphogenesis
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  Abstract: Publication date: Available online 21 March 2022Source: Computational Biology and ChemistryAuthor(s): J. Rogelio Pérez-Buendía, Yuriria Cortés-Poza, Pablo Padilla-Longoria
PASTA with many application-aware optimization criteria for alignment
based phylogeny inference
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  Abstract: Publication date: Available online 14 March 2022Source: Computational Biology and ChemistryAuthor(s): Muhammad Ali Nayeem, Md. Shamsuzzoha Bayzid, Naser Anjum Samudro, Mohammad Saifur Rahman, M. Sohel Rahman
The pathogenicity classification of PAH gene variants in the
Iranian population
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  Abstract: Publication date: Available online 12 March 2022Source: Computational Biology and ChemistryAuthor(s): Reza Alibakhshi, Mohsen Kazeminia, Keivan Moradi
Transfer learning with molecular graph convolutional networks for accurate
modelling and representation of bioactivities of ligands targeting GPCRs
without sufficient data
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  Abstract: Publication date: Available online 9 March 2022Source: Computational Biology and ChemistryAuthor(s): Jiansheng Wu, Chuangchuang Lan, Zheming Mei, Xiaohuyan Chen, Yanxiang Zhu, Haifeng Hu, Yemin Diao
Modelling the transport mechanism of organic molecules into cell
membranes: The role of organic solvents.
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  Abstract: Publication date: Available online 5 March 2022Source: Computational Biology and ChemistryAuthor(s): Mosè Casalegno, Guido Sello
SIP: A computational prediction of S-Adenosyl methionine (SAM) interacting
proteins and their interaction sites through primary structures
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  Abstract: Publication date: Available online 5 March 2022Source: Computational Biology and ChemistryAuthor(s): Wajid Arshad Abbasi, Syeda Adin Ajaz, Kinza Arshad, Sidra Liaqat, Saiqa Andleeb, Maryum Bibi, Syed Ali Abbas
Design and various in silico studies of the novel curcumin derivatives as
potential candidates against COVID-19 -associated main enzymes
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  Abstract: Publication date: Available online 26 February 2022Source: Computational Biology and ChemistryAuthor(s): Hakan Alici, Hakan Tahtaci, Kadir Demir
Machine learning prediction of 3CL^pro SARS-CoV-2 docking scores
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  Abstract: Publication date: Available online 26 February 2022Source: Computational Biology and ChemistryAuthor(s): Lukas Bucinsky, Dušan Bortňák, Marián Gall, Ján Matúška, Viktor Milata, Michal Pitoňák, Marek Štekláč, Daniel Végh, Dávid Zajaček
Heterologous Expression, Biochemical Characterisation and Computational
Analysis of Bacteroides fragilis Enolase
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  Abstract: Publication date: Available online 26 February 2022Source: Computational Biology and ChemistryAuthor(s): Erennur Ugurel, Sinem Kocer, Emrah Sariyer, Ozal Mutlu, Tugba Gul Inci, Osman Mutluhan Ugurel, Dilek Turgut-Balik
Discovering inhibitors of TEAD palmitate binding pocket through virtual
screening and molecular dynamics simulation
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  Abstract: Publication date: Available online 25 February 2022Source: Computational Biology and ChemistryAuthor(s): Yimin Li, Yaqi Li, Chao Ning, Jianda Yue, Cheng Zhang, Xiao He, Ying Wang, Zhonghua Liu
Thiazole inhibitors of α-glucosidase: positional isomerism modulates
selectivity, enzyme binding and potency of inhibition
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  Abstract: Publication date: Available online 25 February 2022Source: Computational Biology and ChemistryAuthor(s): Usman Ghani, Sajda Ashraf, Zaheer Ul Haq, Zafer Asim Kaplancikli, Fatih Demirci, Yusuf Özkay, Sibtain Afzal
A Hybrid Ensemble and Evolutionary Algorithm for Imbalanced Classification
and its Application on Bioinformatics
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  Abstract: Publication date: Available online 23 February 2022Source: Computational Biology and ChemistryAuthor(s): Yongqing Zhang, Meng Lin, Yihan Yang, Chunli Ding
A Global Report on the Dynamics of COVID-19 with Quarantine and
Hospitalization: A Fractional Order Model with Non-Local Kernel
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  Abstract: Publication date: Available online 19 February 2022Source: Computational Biology and ChemistryAuthor(s): 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
In silico Identification of Candidate miRNA-encoded Peptides in
Four Fabaceae Species
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  Abstract: Publication date: Available online 18 February 2022Source: Computational Biology and ChemistryAuthor(s): Paula Machado Araújo, Clícia Grativol
Synthesis, Structural elucidation, DFT calculation, Biological studies and
DNA Interaction of Some Aryl hydrazone Cr3+, Fe3+, and Cu2+ Chelates
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  Abstract: Publication date: Available online 11 February 2022Source: Computational Biology and ChemistryAuthor(s): Ahmed M. Abu-Dief, Rafat M. El-Khatib, Faizah S. Aljohani, Hessah A. Al-Abdulkarim, Seraj Alzahrani, Gehad El-Sarrag, Mohamed Ismael
In silico and in vitro studies of thiosemicarbazone-indole hybrid
compounds as potent α-glycosidase inhibitors
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  Abstract: Publication date: Available online 10 February 2022Source: Computational Biology and ChemistryAuthor(s): Zohreh Bakherad, Hamid Bakherad, Saghi Sepehri, Mohammad Ali Faramarzi, Karim Mahnam, Somayeh Mojtabavi, Mohammad Mahdavi
m6A-Finder: Detecting m6A methylation sites from RNA transcriptomes using
physical and statistical properties based features
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  Abstract: Publication date: Available online 10 February 2022Source: Computational Biology and ChemistryAuthor(s): Asad Khan, Hafeez Ur Rehman, Usman Habib, Umer Ijaz
Synthesis, invitro cytotoxicity,molecular docking and ADME study of some
indolin-2-one linked 1,2,3-triazole derivatives
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  Abstract: Publication date: Available online 9 February 2022Source: Computational Biology and ChemistryAuthor(s): Arnika Das, Giulia Greco, Sujeet Kumar, Elena Catanzaro, Rita Morigi, Alessandra Locatelli, Dominique Schols, Hakan Alici, Hakan Tahtaci, Febina Ravindran, Carmela Fimognari, Subhas S Karki
Prediction of the Disease Causal Genes Based on Heterogeneous Network and
Multi-Feature Combination Method
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  Abstract: Publication date: Available online 9 February 2022Source: Computational Biology and ChemistryAuthor(s): Lexiang Wang, Mingxiao Wu, Yulin Wu, Xiaofeng Zhang, Sen Li, Ming He, Fan Zhang, Yadong Wang, Junyi Li
Lung cancer prediction using multi-gene genetic programming by selecting
automatic features from amino acid sequences
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  Abstract: Publication date: Available online 3 February 2022Source: Computational Biology and ChemistryAuthor(s): Mohsin Sattar, Abdul Majid, Nabeela Kausar, Muhammad Bilal, Muhammad Kashif
Natural selection shaped the evolution of amino acid usage in mammalian
toll like receptor genes
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  Abstract: Publication date: Available online 2 February 2022Source: Computational Biology and ChemistryAuthor(s): Manisha Ghosh, Surajit Basak, Shanta Dutta
501Y.V2 spike protein resists the neutralizing antibody in atomistic
simulations
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  Abstract: Publication date: April 2022Source: Computational Biology and Chemistry, Volume 97Author(s): Son Tung Ngo
Conformational change due to replacement of disulfide with selenosulfide
and diselenide in dipeptide vicinal cysteine loop
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  Abstract: Publication date: Available online 20 January 2022Source: Computational Biology and ChemistryAuthor(s): K Kasi Amarnath Reddy, Deepak Kumar Sahoo, Smriti Moi, Konkallu Hanumae Gowd
Osmotic Pressure Induced by Extracellular Matrix Drives Bacillus Subtilis
Biofilms’ Self-healing
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  Abstract: Publication date: Available online 15 January 2022Source: Computational Biology and ChemistryAuthor(s): Fulin Dong, Song Liu, Duohuai Zhang, Jinchang Zhang, Xiaoling Wang, Hui Zhao
Predicting the evolution of number of native contacts of a small protein
by using deep learning approach
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  Abstract: Publication date: Available online 12 January 2022Source: Computational Biology and ChemistryAuthor(s): Santanu Santra, Madhurima Jana
Human Drug-Pathway Association Prediction Based on Network Consistency
Projection
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  Abstract: Publication date: Available online 12 January 2022Source: Computational Biology and ChemistryAuthor(s): Ali Ghulam, Xiujuan Lei, Yuchen Zhang, Zhenqiang Wu
Identification of leucine-rich repeat receptor-like protein kinase
(LRR-RLK) genes in paper mulberry and their potential roles in response to
cold stress
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  Abstract: Publication date: Available online 10 January 2022Source: Computational Biology and ChemistryAuthor(s): Yalei Su, Xianjun Peng, Shihua Shen
PPred-PCKSM: A multi-layer predictor for identifying promoter and its
variants using position based features
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  Abstract: Publication date: Available online 7 January 2022Source: Computational Biology and ChemistryAuthor(s): Raju Bhukya, Archana Kumari, Santhosh Amilpur, Chandra Mohan Dasari
Tuning Hyperparameters of Machine Learning Algorithms and Deep Neural
Networks Using Metaheuristics: A Bioinformatics Study on Biomedical and
Biological Cases
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  Abstract: Publication date: Available online 24 December 2021Source: Computational Biology and ChemistryAuthor(s): Sajjad Nematzadeh, Farzad Kiani, Mahsa Torkamanian-Afshar, Nizamettin Aydin