Design, synthesis, antimicrobial activity and computational studies of novel azo linked substituted benzimidazole, benzoxazole and benzothiazole derivatives
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.01.003
Predicting drug-target interaction network using deep learning model
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.03.016
In silico drug design of inhibitor of nuclear factor kappa B kinase subunit beta inhibitors from 2-acylamino-3-aminothienopyridines based on quantitative structure-activity relationships and molecular docking
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.12.021
Protein secondary structure prediction using neural networks and deep learning: A review
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.107093
2/3D-QSAR, molecular docking and MD simulation studies of FtsZ protein targeting benzimidazoles derivatives
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.12.017
Synthesis, anticancer activity, toxicity evaluation and molecular docking studies of novel phenylaminopyrimidine - (thio)urea hybrids as potential kinase inhibitors
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.12.003
Prediction of drug-target interaction by integrating diverse heterogeneous information source with multiple kernel learning and clustering methods
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.11.028
A class imbalance-aware Relief algorithm for the classification of tumors using microarray gene expression data
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.03.017
Identification of transcription factor-miRNA-lncRNA feed-forward loops in breast cancer subtypes
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.11.008
DFT and QTAIM based investigation on the structure and antioxidant behavior of lichen substances Atranorin, Evernic acid and Diffractaic acid
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.03.009
Novel Triazole Thiole ligand and some of its metal chelates: Synthesis, structure charactertization, thermal behavior in comparison withcomputational caculations andbiological activities
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.12.008
A new sequence based encoding for prediction of host-pathogen protein interactions
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.12.001
Genome-wide identification and expression analysis of StTCP transcription factors of potato (Solanum tuberosum L.)
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.11.009
Rational in silico design of aptamers for organophosphates based on the example of paraoxon
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.05.004
Identification and structural characterization of deleterious non-synonymous single nucleotide polymorphisms in the human SKP2 gene
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.02.003
DFT-based QSAR modelling of selectivity and inhibitory activity of coumarins and sulfocoumarins against tumor-associated carbonic anhydrase isoform IX
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.04.011
Virtual screening of p53 mutants reveals Y220S as an additional rescue drug target for PhiKan083 with higher binding characteristics
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.05.005
Identifying condition specific key genes from basal-like breast cancer gene expression data
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.12.022
Enzymatic inhibitory activity of iridoid glycosides from Picrorrhiza kurroa against matrix metalloproteinases: Correlating in vitro targeted screening and docking
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.10.017
Phylogenetic implications and secondary structure analyses of Vigna mungo (L.) Hepper genotypes based on nrDNA ITS2 sequences
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.12.018
Conformational and docking studies of acyl homoserine lactones as a robust method to investigate bioactive conformations
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.01.006
Molecular evolution of the plant ECERIFERUM1 and ECERIFERUM3 genes involved in aliphatic hydrocarbon production
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.02.009
Automatic hierarchy classification in venation networks using directional morphological filtering for hierarchical structure traits extraction
来源期刊:Computational biology and chemistryDOI:10.1016/J.COMPBIOLCHEM.2019.03.012
Identification of Casiopeina II-gly secondary targets through a systems pharmacology approach
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.11.021
Structural bioinformatics-based identification of putative plant based lead compounds for Alzheimer Disease Therapy
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.12.012
Systematic Profiling and Evaluation of Structure-based Kinase-Inhibitor Interactome in Cervical Cancer by Integrating In Silico Analyses and In Vitro Assays at Molecular and Cellular Levels
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.04.016
Genome-wide Analysis of the MADS-Box Gene Family in Watermelon
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.04.013
In silico identification and evaluation of new Trypanosoma cruzi trypanothione reductase (TcTR) inhibitors obtained from natural products database of the Bahia semi-arid region (NatProDB)
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.01.009
Discovery of perturbation gene targets via free text metadata mining in Gene Expression Omnibus
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.03.014
A comparative multivariate analysis of nitrilase enzymes: An ensemble based computational approach
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.107095
A pharmacoinformatic approach on Cannabinoid receptor 2 (CB2) and different small molecules: Homology modelling, molecular docking, MD simulations, drug designing and ADME analysis
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.11.013
Modeling, stability and the activity assessment of glutathione reductase from Streptococcus Thermophilus; Insights from the in-silico simulation study
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.107121
In silico pharmacophore modeling and simulation studies for searching potent antileishmanials targeted against Leishmania donovani nicotinamidase
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.107150
In silico analysis of different signal peptides for the secretory production of recombinant human keratinocyte growth factor in Escherichia coli
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.03.003
Gp41 inhibitory activity prediction of theaflavin derivatives using ligand/structure-based virtual screening approaches
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.02.001
Homology modeling and molecular dynamic simulation of UDP-N-acetylmuramoyl-l-alanine-d-glutamate ligase (MurD) from Mycobacterium tuberculosis H37Rv using in silico approach
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.11.002
Structure based pharmacophore study to identify possible natural selective PARP-1 trapper as anti-cancer agent
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.04.018
Acetylcholinesterase inhibitory activities and bioguided fractionation of the Ocotea percoriacea extracts: HPLC-DAD-MS/MS characterization and molecular modeling of their alkaloids in the active fraction
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.107129
Molecular mechanism by which residues at position 481 and 546 of measles virus hemagglutinin protein define CD46 receptor binding using a molecular docking approach
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.05.007
HC-HDSD: A method of hypergraph construction and high-density subgraph detection for inferring high-order epistatic interactions
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.11.031
RepEx: A web server to extract sequence repeats from protein and DNA sequences
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.12.015
Synthesis, cytotoxicity, apoptosis and molecular docking studies of novel phenylbutyrate derivatives as potential anticancer agents
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.03.008
Compositional features and codon usage pattern of TP63 gene
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.107119
Efficient Gaussian sample specific network marker discovery and drug enrichment analysis validation
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.107139
Virtual high-throughput screens identifying hPK-M2 inhibitors: Exploration of model extrapolation
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2018.12.006
Oxidatively-mediated in silico epimerization of a highly amyloidogenic segment in the human calcitonin hormone (hCT15-19)
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.04.005
Molecular evolution of the internal transcribed spacers in red oaks (Quercus sect. Lobatae)
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.107117
Identification and expression analysis of StGRAS gene family in potato (Solanum tuberosum L.)
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.03.020
In silico structural and functional characterization and phylogenetic study of alkaline phosphatase in bacterium, Rhizobium leguminosarum (Frank 1879)
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.107142
Insights into the flexibility of the T3 loop and GTPase activating protein (GAP) domain of dimeric α and β tubulins from a molecular dynamics perspective
来源期刊:Computational biology and chemistryDOI:10.1016/j.compbiolchem.2019.06.006