Computational Biology and Chemistry

Title Publication Date Language Citations
Circular code motifs in transfer and 16S ribosomal RNAs: A possible translation code in genes2012/04/01English72
Predicting melting temperature directly from protein sequences2009/12/01English71
Synthesis, structural elucidation, DFT calculation, biological studies and DNA interaction of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates2022/04/01English68
Predicting drug-target interaction network using deep learning model2019/06/01English68
Computational identification of 48 potato microRNAs and their targets2009/02/01English66
Discrepancy between mRNA and protein abundance: Insight from information retrieval process in computers2008/12/01English66
Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors2018/06/01English65
Overlapping genes in vertebrate genomes2005/02/01English64
Global expression analysis of miRNA gene cluster and family based on isomiRs from deep sequencing data2010/06/01English63
Analysis of cis-acting regulatory elements of Respiratory burst oxidase homolog ( Rboh ) gene families in Arabidopsis and rice provides clues for their diverse functions2016/06/01English61
Supervised machine learning algorithms for protein structure classification2009/06/01English61
Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities2020/08/01English60
Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors2020/10/01English60
Synthesis and in silico investigation of thiazoles bearing pyrazoles derivatives as anti-inflammatory agents2016/04/01English58
Predicting potential miRNA-disease associations by combining gradient boosting decision tree with logistic regression2020/04/01English58
Drug–target network and polypharmacology studies of a Traditional Chinese Medicine for type II diabetes mellitus2011/10/01English57
Study on the interaction of artificial and natural food colorants with human serum albumin: A computational point of view2015/06/01English56
Circular code motifs in transfer RNAs2013/08/01English55
TMBETADISC-RBF: Discrimination of -barrel membrane proteins using RBF networks and PSSM profiles2008/06/01English55
Statistical models in assessing fold change of gene expression in real-time RT-PCR experiments2006/02/01English54
Computer-aided drug design and virtual screening of targeted combinatorial libraries of mixed-ligand transition metal complexes of 2-butanone thiosemicarbazone2018/08/01English54
Computational identification and characterization of primate-specific microRNAs in human genome2010/08/01English53
The iProClass integrated database for protein functional analysis2004/02/01English53
POAP: A GNU parallel based multithreaded pipeline of open babel and AutoDock suite for boosted high throughput virtual screening2018/06/01English53
Multi-class tumor classification by discriminant partial least squares using microarray gene expression data and assessment of classification models2004/07/01English51
Kernel-based data fusion improves the drug–protein interaction prediction2011/12/01English50
Tuning hyperparameters of machine learning algorithms and deep neural networks using metaheuristics: A bioinformatics study on biomedical and biological cases2022/04/01English50
Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design2020/10/01English50
THPep: A machine learning-based approach for predicting tumor homing peptides2019/06/01English50
A mathematical analysis of SELEX2007/02/01English49