Abstract:
:Buried active sites of enzymes are connected to the bulk solvent through a network of hydrophobic channels. We developed a discretized model that can accurately predict ligand transport along hydrophobic channels up to six orders of magnitude faster than any other existing method. The non-dimensional nature of the model makes it applicable to any hydrophobic channel/ligand combination.
journal_name
Comput Struct Biotechnol Jjournal_title
Computational and structural biotechnology journalauthors
Escalante DE,Aksan Adoi
10.1016/j.csbj.2019.06.001subject
Has Abstractpub_date
2019-06-11 00:00:00pages
757-760issn
2001-0370pii
S2001-0370(19)30051-0journal_volume
17pub_type
杂志文章abstract::Classical microRNA (miRNA) has been so far believed as a single sequence, but it indeed contains multiple miRNA isoforms (isomiR) with various sequences and expression patterns. It is not clear whether these diverse isomiRs have potential relationships and whether they contribute to miRNA:mRNA interactions. Here, we a...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2020.05.001
更新日期:2020-05-13 00:00:00
abstract::The MucR/Ros family protein is conserved in alpha-proteobacteria and characterized by its zinc-finger motif that has been proposed as the ancestral domain from which the eukaryotic C2H2 zinc-finger structure evolved. In the past decades, accumulated evidences have revealed MucR as a pleiotropic transcriptional regulat...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2020.11.028
更新日期:2020-11-19 00:00:00
abstract::Human bodies are colonized by trillions of microorganisms, which are often referred to as human microbiota and play important roles in human health. Next generation sequencing studies have established links between the genetic content of human microbiota and various human diseases. However, it remains largely unknown ...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2019.09.010
更新日期:2019-10-25 00:00:00
abstract::Taxonomic differentiation among morphologically identical Ascaris species is a debatable scientific issue in the context of Ascariasis epidemiology. To explain the disease epidemiology and also the taxonomic position of different Ascaris species, genome information of infecting strains from endemic areas throughout th...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2015.08.006
更新日期:2015-09-04 00:00:00
abstract::Allosteric modulation provides an effective avenue for selective and potent enzyme inhibition. Here, we summarize and critically discuss recent advances on the mechanisms of allosteric partial agonists for three representative signalling enzymes activated by cyclic nucleotides: the cAMP-dependent protein kinase (PKA),...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2020.10.026
更新日期:2020-11-11 00:00:00
abstract::Coronaviruses are a group of enveloped RNA viruses that are diversely found in humans and now declared a global pandemic by the World Health Organization in March 2020. The population's susceptibility to these highly pathogenic coronaviruses has contributed to large outbreaks, evolved into public health events, and ra...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2020.11.011
更新日期:2020-01-01 00:00:00
abstract::Alternative splicing contributes to the majority of protein diversity in higher eukaryotes by allowing one gene to generate multiple distinct protein isoforms. It adds another regulation layer of gene expression. Up to 95% of human multi-exon genes undergo alternative splicing to encode proteins with different functio...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2020.12.009
更新日期:2020-12-24 00:00:00
abstract::Metabolomics is a relatively new high-throughput technology that aims at measuring all endogenous metabolites within a biological sample in an unbiased fashion. The resulting metabolic profiles may be regarded as functional signatures of the physiological state, and have been shown to comprise effects of genetic regul...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.5936/csbj.201301009
更新日期:2013-03-22 00:00:00
abstract::We report a study of the interaction between internalin A (inlA) and human or murine E-cadherin (Ecad). inlA is used by Listeria monocytogenes to internalize itself into host cell, but the bacterium is unable to invade murine cells, which has been attributed to the difference in sequence between hEcad and mEcad. Using...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.5936/csbj.201303022
更新日期:2013-12-15 00:00:00
abstract::Although the potential advantages of clinical germline genome editing (GGE) over currently available methods are limited, the implementation of GGE in the clinic has been proposed and discussed. Ethical issues related to such an application have been extensively debated, meanwhile, seemingly less attention has been pa...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2020.03.014
更新日期:2020-03-21 00:00:00
abstract::In this review we aim to summarize studies investigating the impact of a molecular profiling (MP)-guided treatment approach in heavily pretreated cancer patients. In summary, many independent single- and multicenter studies showed a significant benefit of MP-guided treatment regarding response rates and survival. Howe...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2019.03.012
更新日期:2019-03-26 00:00:00
abstract::Interactions between their transmembrane domains (TMDs) frequently support the assembly of single-pass membrane proteins to non-covalent complexes. Yet, the TMD-TMD interactome remains largely uncharted. With a view to predicting homotypic TMD-TMD interfaces from primary structure, we performed a systematic analysis o...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2020.09.035
更新日期:2020-10-07 00:00:00
abstract::Traditional Chinese Medicine (TCM) has a long history of widespread clinical applications, especially in East Asia, and is becoming frequently used in Western countries. However, owing to extreme complicacy in both chemical ingredients and mechanism of action, a deep understanding of TCM is still difficult. To acceler...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2018.11.002
更新日期:2018-11-23 00:00:00
abstract::The field of machine learning has allowed researchers to generate and analyse vast amounts of data using a wide variety of methodologies. Artificial Neural Networks (ANN) are some of the most commonly used statistical models and have been successful in biomarker discovery studies in multiple disease types. This review...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2018.02.001
更新日期:2018-02-21 00:00:00
abstract::The development of new high-throughput sequencing technologies has increased dramatically the number of successful genomic projects. Thus, draft genomic sequences of more than 60 plant species are currently available. Suitable bioinformatics tools are being developed to assemble, annotate and analyze the enormous numb...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.5936/csbj.201307001
更新日期:2013-08-14 00:00:00
abstract::Biomedical research and clinical decision depend increasingly on scientific evidence realized by a number of authoritative databases, mostly public and continually enriched via peer scientific contributions. Given the dynamic nature of biomedical evidence data and their usage in the sensitive domain of biomedical scie...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2018.08.002
更新日期:2018-08-17 00:00:00
abstract::Circular RNA (circRNA) plays an important role in the development of diseases, and it provides a novel idea for drug development. Accurate identification of circRNAs is important for a deeper understanding of their functions. In this study, we developed a new classifier, CirRNAPL, which extracts the features of nuclei...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2020.03.028
更新日期:2020-04-02 00:00:00
abstract::The COVID-19 pandemic has substantially stressed health care systems globally, subsequently reducing cancer care services and delaying treatments. Pediatric populations infected by COVID-19 have shown mild clinical symptoms compared to adults, perhaps due to decreased susceptibility. Several scientific societies and g...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2021.01.005
更新日期:2021-01-12 00:00:00
abstract:Motivation:With Next Generation Sequencing becoming more affordable every year, NGS technologies asserted themselves as the fastest and most reliable way to detect Single Nucleotide Variants (SNV) and Copy Number Variations (CNV) in cancer patients. These technologies can be used to sequence DNA at very high depths thu...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2020.08.011
更新日期:2020-08-27 00:00:00
abstract::The constant improvement and falling prices of whole human genome Next Generation Sequencing (NGS) has resulted in rapid adoption of genomic information at both clinics and research institutions. Considered together, the complexity of genomics data, due to its large volume and diversity along with the need for genomic...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2015.10.004
更新日期:2015-10-31 00:00:00
abstract::Huntington's disease is a progressive neurodegenerative disorder characterized by motor disturbances, cognitive decline, and neuropsychiatric symptoms. In this study, we utilized network-based analysis in an attempt to explore and understand the underlying molecular mechanism and to identify critical molecular players...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2016.02.001
更新日期:2016-02-10 00:00:00
abstract::MicroRNAs (miRNAs) are well-studied small noncoding RNAs involved in post-transcriptional gene regulation in a wide range of organisms, including mammals. Their function is mediated by base pairing with their target RNAs. Although many features required for miRNA-mediated repression have been described, the identifica...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2020.02.019
更新日期:2020-03-05 00:00:00
abstract::The use of herbs to treat various human diseases has been recorded for thousands of years. In Asia's current medical system, numerous herbal formulas have been repeatedly verified to confirm their effectiveness in different periods, which is a great resource for drug innovation and discovery. Through the mining of the...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2020.11.036
更新日期:2020-12-04 00:00:00
abstract::Membrane fatty acid desaturases are a diverse superfamily of enzymes that catalyze the introduction of double bonds into fatty acids. They are essential in a range of metabolic processes, such as the production of omega-3 fatty acids. However, our structure-function understanding of this superfamily is still developin...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2016.08.003
更新日期:2016-09-12 00:00:00
abstract::Understanding the pathogenesis of disease is instrumental in delineating its progression mechanisms and for envisioning ways to counteract it. In the process, animal models represent invaluable tools for identifying disease-related loci and their genetic components. Amongst them, the laboratory rat is used extensively...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2015.11.006
更新日期:2015-11-26 00:00:00
abstract::The fungi kingdom is composed of eukaryotic heterotrophs, which are responsible for balancing the ecosystem and play a major role as decomposers. They also produce a vast diversity of secondary metabolites, which have antibiotic or pharmacological properties. However, our lack of knowledge of gene function in fungi pr...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2020.11.019
更新日期:2020-11-20 00:00:00
abstract::Microsatellite instability (MSI) is a genomic property of the cancers with defective DNA mismatch repair and is a useful marker for cancer diagnosis and treatment in diverse cancer types. In particular, MSI has been associated with the active immune checkpoint blockade therapy response in cancer. Most of computational...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2020.03.007
更新日期:2020-03-19 00:00:00
abstract::Recent years have witnessed the tendency of measuring a biological sample on multiple omics scales for a comprehensive understanding of how biological activities on varying levels are perturbed by genetic variants, environments, and their interactions. This new trend raises substantial challenges to data integration a...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章,评审
doi:10.1016/j.csbj.2020.02.011
更新日期:2020-03-05 00:00:00
abstract::Hydroxynitrile lyases (HNLs) are powerful carbon-carbon bond forming enzymes. The reverse of their natural reaction - the stereoselective addition of hydrogen cyanide (HCN) to carbonyls - yields chiral cyanohydrins, versatile building blocks for the pharmaceutical and chemical industry. Recently, bacterial HNLs have b...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2014.07.002
更新日期:2014-07-08 00:00:00
abstract::Biased agonism, the ability of agonists to differentially activate downstream signaling pathways by stabilizing specific receptor conformations, is a key issue for G protein-coupled receptor (GPCR) signaling. The C-terminal domain might influence this functional selectivity of GPCRs as it engages G proteins, GPCR kina...
journal_title:Computational and structural biotechnology journal
pub_type: 杂志文章
doi:10.1016/j.csbj.2020.09.028
更新日期:2020-09-24 00:00:00