Computational Biology and Chemistry publishes original research papers and review articles in all areas of computational life sciences. High quality research contributions with a major computational component in the areas of nucleic acid and protein sequence research, molecular evolution, molecular genetics (functional genomics and proteomics), theory and practice of either biology-specific or chemical-biology-specific modeling, and structural biology of nucleic acids and proteins are particularly welcome. Exceptionally high quality research work in bioinformatics, systems biology, ecology, computational pharmacology, metabolism, biomedical engineering, epidemiology, and statistical genetics will also be considered.Given their inherent uncertainty, protein modeling and molecular docking studies should be thoroughly validated. In the absence of experimental results for validation, the use of molecular dynamics simulations along with detailed free energy calculations, for example, should be used as complementary techniques to support the major conclusions. Submissions of premature modeling exercises without additional biological insights will not be considered.Review articles will generally be commissioned by the editors and should not be submitted to the journal without explicit invitation. However prospective authors are welcome to send a brief (one to three pages) synopsis, which will be evaluated by the editors.
计算 生物 学 和 化学 出版 计算 生命 科学 所有 领域 的 原创 研究 论文 和 评论 文章 。特别 欢迎 在 核酸 和 蛋白 质 序列 研究 、 分子 进化 、 分子 遗传 学 （ 功能 基因 组 学 和 蛋白 质 组 学 ） 、 生物 特异 性 或 化学 生物 学 特异 性 建模 的 理论 和 实践 以及 核酸 和 蛋白 质 的 结构 生物 学 等 领域 做出 主要 计算 成分 的 高 质量 研究 贡献 。生物 信息 学 、 系统 生物 学 、 生态 学 、 计算 药理 学 、 代谢 、 生物 医学 工程 、 流行 病学 和 统计 遗传 学 领域 的 高 质量 研究 工作 也 将 被 考虑 。 考虑 到 它们 固有 的 不 确定 性 ， 蛋白 质 建模 和 分子 对接 研究 应该 得到 彻底 的 验证 。在 没有 实验 结果 可 供 验证 的 情况 下 ， 例如 ， 分子 动力 学 模拟 以及 详细 的 自由 能 计算 的 使用 应 用作 支持 主要 结论 的 补充 技术 。没有 额外 生物 学 见解 的 过早 建模 练习 的 投稿 将 不予 考虑 。 综述 文章 通常 由 编辑 委托 ， 未经 明确 邀请 ， 不 应 提交 给 期刊 。然而 ， 欢迎 未来 的 作者 发送 一 个 简短 的 （ 一到 三 页 ） 大纲 ， 这 将 由 编辑 评估 。
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
