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Atom counting method for determining elemental composition of viruses and its applications in biothermodynamics and environmental science

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 96 ()

Quantitative physicochemical perspective on life processes has been a great asset, in bioengineering and biotechnology. The quantitative physicochemic......

JIF:2.77

Identification of leucine-rich repeat receptor-like protein kinase (LRR-RLK) genes in paper mulberry and their potential roles in response to cold stress

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 97 ()

Leucine-rich repeat receptor-like protein kinases (LRR-RLKs) represent the largest group of receptor-like kinases in plants, which have been previousl......

JIF:2.77

Design and various in silico studies of the novel curcumin derivatives as potential candidates against COVID-19-associated main enzymes

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 98 ()

The novel coronavirus disease (COVID-19) is a highly contagious disease caused by the SARS-CoV-2 virus, leading severe acute respiratory syndrome in p......

JIF:2.77

Thiazole inhibitors of a-glucosidase: Positional isomerism modulates selectivity, enzyme binding and potency of inhibition

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 98 ()

Isomerism plays a key role in determining potency, selectivity and type of inhibition exhibited by enzyme inhibitors. We present 20 new benzylidene-hy......

JIF:2.77

Integrating multiple sequence features for identifying anticancer peptides

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 99 ()

As one of the most terrible diseases, cancer causes millions of deaths worldwide every year. The popular treatment approaches, such as radiotherapy an......

JIF:2.77

A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 99 ()

Papain like protease (PLpro) is a cysteine protease from the coronaviridae family of viruses. Coronaviruses possess a positive sense, single-strand RN......

JIF:2.77

Molecular insights into the mechanism of sugar-modified enkephalin binding to opioid receptors

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 101 ()

Opioid receptors (delta, kappa, and mu) belong to the G protein-coupled receptor (GPCR) superfamily. They are responsible for pain perception -being a......

JIF:2.77

Inference of gene regulatory networks based on the Light Gradient Boosting Machine

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 101 ()

Inference of gene regulatory networks (GRNs) is one of the major challenges in molecular biology, understanding of which can reveal the regulatory rel......

JIF:2.77

PPred-PCKSM: A multi-layer predictor for identifying promoter and its variants using position based features

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 97 ()

Promoter is a small region of DNA where a protein called RNA polymerase binds thus resulting in initiation of transcription of a specific gene. In bac......

JIF:2.77

Natural selection shaped the evolution of amino acid usage in mammalian toll like receptor genes

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 97 ()

Toll-like receptors (TLRs) are important as they are able to sense diverse set of pathogens associated molecular patterns (PAMPs) as ligands. These re......

JIF:2.77

Recognizing protein-metal ion ligands binding residues by random forest algorithm with adding orthogonal properties

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 98 ()

Accurately identifying protein-metal ion ligand binding residues is the key to study protein functions. Because the number of binding residues and non......

JIF:2.77

Enhancing protein contact map prediction accuracy via ensembles of inter-residue distance predictors

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 99 ()

Protein contact maps capture coevolutionary interactions between amino acid residue pairs that are spatially within certain proximity threshold. Predi......

JIF:2.77

Comparative molecular dynamics analyses on PIK3CA hotspot mutations with PI3K alpha specific inhibitors and ATP

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 99 ()

PI3K pathway is heavily emphasized in cancer where PIK3CA, which encodes for the p110 alpha subunit of PI3K alpha, presents itself as the second most ......

JIF:2.77

BAT-Net: An enhanced RNA Secondary Structure prediction via bidirectional GRU-based network with attention mechanism

期刊: COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 101 ()

Background: RNA Secondary Structure (RSS) has drawn growing concern, both for their pivotal roles in RNA tertiary structures prediction and critical e......

JIF:2.77

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