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Predicting helix-helix interactions from residue contacts in membrane proteins

bioinformatics 2009年第8期25卷 996-1003页

作者： Lo, Allan Chiu, Yi-Yuan Rødland, Einar Andreas Lyu, Ping-Chiang Sung, Ting-Yi Hsu, Wen-Lian Bioinformatics Program Taiwan International Graduate Program Academia Sinica Taipei Taiwan Institute of Bioinformatics and Structural Biology Department of Life Sciences National Tsing Hua University Hsinchu Taiwan Bioinformatics Laboratory Institute of Information Science Academia Sinica Taipei Taiwan Centre for Cancer Biomedicine University of Oslo NO-0027 Oslo Norway SAMBA Norwegian Computing Center Blindern NO-0314 Oslo P.O. Box 114 Norway

Motivation: Helix-helix interactions play a critical role in the structure assembly, stability and function of membrane proteins. On the molecular level, the interactions are mediated by one or more residue contacts. Although previous studies focused on helix-packing patterns and sequence motifs, few of them developed methods specifically for contact prediction. Results: We present a new hierarchical framework for contact prediction, with an application in membrane proteins. The hierarchical scheme consists of two levels: in the first level, contact residues are predicted from the sequence and their pairing relationships are further predicted in the second level. Statistical analyses on contact propensities are combined with other sequence and structural information for training the support vector machine classifiers. Evaluated on 52 protein chains using leave-one-out cross validation (LOOCV) and an independent test set of 14 protein chains, the two-level approach consistently improves the conventional direct approach in prediction accuracy, with 80% reduction of input for prediction. Furthermore, the predicted contacts are then used to infer interactions between pairs of helices. When at least three predicted contacts are required for an inferred interaction, the accuracy, sensitivity and specificity are 56%, 40% and 89%, respectively. Our results demonstrate that a hierarchical framework can be applied to eliminate false positives (FP) while reducing computational complexity in predicting contacts. Together with the estimated contact propensities, this method can be used to gain insights into helix-packing in membrane proteins. © 2009 The Author(s).

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iSNP: An integrated, automatically updated SNP database

iSNP: An integrated, automatically updated SNP database

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2012 7th International Symposium on Health Informatics and bioinformatics, HIBIT 2012

作者： Çarkacioǧlu, Levent Gedikoǧlu, Ceyhun Son, Yeşim Aydin Bioinformatics Graduate Program Middle East Technical University 06800 Ankara Turkey Health Informatics Department Middle East Technical University 06800 Ankara Turkey

ISBN: (纸本)9781467308786

Single Nucleotide Polymorphisms (SNP) is a DNA sequence variation that occurs when a single nucleotide differs between members of a biological species or paired chromosomes in an individual. Studies on SNP data are important for scientists to shed light on identifying genetic variations underlying complex diseases. While recent advances in high-throughput genotyping technologies are resulting in data accumulation at large scales, the need for collection and service of this data under a standard format and globally normalized and structured metadata that houses the structured SNP data is becoming essential. Here, we present iSNP that is a regularly updated, machine curated database that holds SNP and its associated metadata from publicly available databases under a structured standard format that can be efficiently utilized within different applications. © 2012 IEEE.

关键词： Metadata

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Diversity and Evolution of RNA Recognition Motifs: A Case Study on the Utility of RdRp in the phylum Duplornaviricota

Diversity and Evolution of RNA Recognition Motifs: A Case St...

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2023 IEEE International Conference on bioinformatics and Biomedicine, BIBM 2023

作者： Je, Mikyung Cho, Myeongji Son, Hyeon S. Seoul National University Interdisciplinary Graduate Program in Bioinformatics College of Natural Science Seoul Korea Republic of Seoul National University Lab. of Computational Biology & Bioinformatics Graduate School of Public Health Seoul Korea Republic of Seoul National University Institute of Health and Environment Seoul Korea Republic of

ISBN: (纸本)9798350337488

Viruses possess specific conserved regions known as RNA recognition motifs, which are shared within taxonomic groups. Applying these to the Baltimore virus classification system, there are genes/proteins that serve as biomarkers for each of the seven groups. Mutations in conserved sequence regions can have a significant impact on the function of a virus, especially if these conserved regions are part of a major protein. In this study, we analyzed the RdRp gene, known to be a representative RRM of RNA viruses, from viruses of five families (Alternaviridae, Chrysoviridae, Totiviridae, Sedoreoviridae, and Spinareoviridae) within the phylum Duplornaviricota. Data were retrieved from the NCBI non-redundant (nr) database (https://***/protein) applying a cut-off of 300 amino acids in length. RdRp protein sequences were aligned using PROMALS3D, and PhyML (v3.0) was used for phylogenetic analysis. In the next step, we utilized the officially provided ICTV taxonomy and bioinformatics tools to assign the phylogenetic position of RdRp. Although this analysis focused solely on RdRp, it can be concluded that using this gene as a marker may be sufficient for taxonomic assignment. Subsequent analyses will target DNA viruses and RT viruses to perform a more comprehensive assessment. This extensive analysis aims to validate the usefulness of marker genes in the overall viral taxonomy. © 2023 IEEE.

关键词： classification marker gene RdRp RNA recognition motif taxonomy virus

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Enhancing Interoperability of Digital Twin in the Maintenance phase of Lifecycle 6

Enhancing Interoperability of Digital Twin in the Maintenanc...

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6th International Conference on Information Technology, Information Systems and Electrical Engineering, ICITISEE 2022

作者： Ariansyah, Dedy Pardamean, Bens Bina Nusantara University Bioinformatics and Data Science Research Centre Jakarta11480 Indonesia Bina Nusantara University BINUS Graduate Program Computer Science Program Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9798350399615

In today's digitalization era, asset management has evolved following the rapid adoption of information systems and digital technologies. In the maintenance phase of the asset, Digital Twin (DT) emerges as an effective approach to improve failure recognition and structural damage prediction through DT-driven Prognostic and Health Monitoring (PHM). As a result, DT allows asset manager to proactively plan maintenance strategy to improve the availability of the assets. However, to reduce asset downtime in a cost-effective and time efficient manner, DT for maintenance phase needs to be integrated with other software systems that manage the provision of maintenance service and spare part such as computerized maintenance management system (CMMS) or Enterprise Resource Planning (ERP). Nevertheless, many of the developed DT in PHM were not equipped with semantic data model and hence, lacks interoperability with other systems (e.g., other DT or non-DT system) and limits the effective use of the DT. To qualify as an effective DT, it needs a semantical-enabled interface to connect with data and models from various domain to enable DT-driven decision-making. This paper leverages a rule-based ontology reasoning model to enhance DT interoperability with other maintenance software systems. The results depicts that the developed model paves a way for an effective use of DT-driven system in asset maintenance management. © 2022 IEEE.

关键词： CMMS Digital Twin ERP Maintenance Ontology

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Variational quantum neural network with optimized ansatz for predicting malignant ventricular arrhythmias 9th

Variational quantum neural network with optimized ansatz for...

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9th International Conference on Computer Science and Computational Intelligence, ICCSCI 2024

作者： Dominic, Nicholas Pardamean, Bens Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia Computer Science Department BINUS Graduate Program Computer Science Program Bina Nusantara University Jakarta11480 Indonesia

Preventive strategies should be the utmost priority when dealing with diverse patients suffering from malignant ventricular arrhythmia (MVA) that can lead to sudden cardiac death (SCD). Electrocardiogram (ECG) data is commonly used as a predictor for MVA predictive models. In this study, all ECG signals from MIT-BIH databases were fragmented into five-minute durations with a frequency sampling of 128 Hz. To solve the absence of hybrid optimizations in Machine Learning (ML) models, a novel Variational Quantum Neural Network (VQNN) was invented. Empowered by deep learning capabilities and optimized quantum circuits design, VQNN achieved remarkable performances designated by an accuracy of up to 95.1%, a perfect 100% recall, and a 95.2% score of the area under the Receiver Operating Characteristic curve (AUC ROC) with Conjugate Gradient as an optimizer and EfficientSU2 as a quantum ansatz. Despite the susceptibility to quantum noise, this research settles a new trajectory of utilizing quantum variational algorithms to predict and expand its applicability for MVA cases. © 2024 The Authors.

关键词： Quantum computers

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Sequence to Sequence Deep Learning Architecture for Forecasting Temperature and Humidity inside Closed Space 10

Sequence to Sequence Deep Learning Architecture for Forecast...

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10th International Conference on Cyber and IT Service Management, CITSM 2022

作者： Setiawan, Karli Eka Elwirehardja, Gregorius Natanael Pardamean, Bens Bina Nusantara University Binus Graduate Program Computer Science Program Computer Science Department Jakarta11480 Indonesia Bina Nusantara University Bioinformatics and Data Science Research Center Jakarta11480 Indonesia

ISBN: (数字)9781665460743

ISBN: (纸本)9781665460743

Solar Dryer Dome (SDD), an agricultural facility for drying and preserving agricultural products, needs a smart ability to predict the future indoor climate accurately, including indoor temperature and indoor humidity, in order to optimize electricity usage. To overcome these challenges, deep learning has been a widely adopted method. This research aims to forecast the future indoor climate using time series data by implementing a sequence-to-sequence (seq2seq) architecture, which is mostly used in Natural Language Processing (NLP) tasks. The two proposed seq2seq models, Long Short-Term Memory (LSTM) seq2seq and Gated Recurrent Unit (GRU) seq2seq, have proven to be superior to the adapted LSTM and GRU. The results show that the seq2seq GRU model outperforms the adapted GRU baseline model by an average difference of 0.03013 in MAE and the seq2seq LSTM model outperforms the adapted LSTM baseline model by an average difference of 0.00941 in MAE. To the best of our knowledge, this is the first implementation of seq2seq models for indoor climate forecasting on the Room Climate dataset. © 2022 IEEE.

关键词： Long short-term memory

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bioinformatics

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IEEE Potentials 2004年第1期23卷 24-27页

作者： Doom, Travis Raymer, Michael Krane, Dan IEEE Wright State University United States Department of Computer Science and Engineering Graduate Faculty in Biomedical Sciences Dayton OH United States WSU Biomedical Sciences Ph.D. Program Forensic Bioinformatics Inc. United States Bioinformatics Research Group Computer Science Department Wright State University United States

No abstract available

关键词： bioinformatics Biology computing Biological information theory Data analysis Computational biology Proteins Biochemistry Sequences Genomics Large-scale systems

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Deep learning for oil palm fruit ripeness classification with densenet 6

Deep learning for oil palm fruit ripeness classification wit...

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6th International Conference on Information Management and Technology, ICIMTech 2021

作者： Herman, Herman Cenggoro, Tjeng Wawan Susanto, Albert Pardamean, Bens Bina Nusantara University BINUS Graduate Program - Master of Computer Science Computer Science Department Jakarta11480 Indonesia Bina Nusantara University School of Computer Science Bioinformatics and Data Science Research Center Computer Science Department Jakarta11480 Indonesia Bina Nusantara University BINUS Graduate Program - Master of Computer Science Program Bioinformatics and Data Science Research Center Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9781665449373

Oil palm fruit farming is one of the most leading agriculture industries in the South East Asia region. Unfortunately, most of the harvesting method is still done through manual labor. Multiple research has been conducted to help farmers automatically detect the ripeness level of the oil palm fruit. We conducted an experiment of detecting the ripeness level of oil palm fruit by using one of the state-of-the-art computer vision approaches, which was deep learning with a Convolutional Neural Network (CNN). The dataset used consists of 7 levels of ripeness with 400 images of oil palm fruits. The models used in this test scenario were both AlexNet and DenseNet. The result of this study showed that DenseNet has been proven to outperform AlexNet by 8.5% in terms of accuracy and 8% in F1 score. © 2021 IEEE.

关键词： Computer vision

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Measurement of renal blood flow in a rat model using diffuse correlation spectroscopy

Measurement of renal blood flow in a rat model using diffuse...

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Microscopy Histopathology and Analytics, Microscopy 2024 - Part of Optica Biophotonics Congress: Biomedical Optics

作者： Nakabayashi, Mikie Ono, Yumie Electrical Engineering Program Graduate School of Science and Technology Meiji University Kanagawa Japan Department of Electronics and Bioinformatics School of Science and Technology Meiji University Kanagawa Japan

ISBN: (纸本)9781957171340

关键词： Detectors Laser sources Lasers Near infrared Photon counting Spectroscopy

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Multiplexed Nanoscopy via Buffer Exchange

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ACS Nano 2024年第34期18卷 23445-23456页

作者： Chang, Ting-Jui Ben Yang, T. Tony Department of Electrical Engineering National Taiwan University Taipei10617 Taiwan Graduate Institute of Biomedical Electronics and Bioinformatics National Taiwan University Taipei10617 Taiwan Department of Physics National Taiwan University Taipei10617 Taiwan Nano Science and Technology Program Taiwan International Graduate Program Academia Sinica and National Taiwan University Taipei10617 Taiwan

Understanding cellular functions, particularly in their intricate complexity, can greatly benefit from the spatial mapping of diverse molecules through multitarget single-molecule localization microscopy (SMLM). Existing methodologies, primarily restricting the encoding dimensions to color and lifetime or requiring cyclic staining, often involve broad chromatic detection, specialized optical configurations, or sophisticated labeling techniques. Here, we propose a simple approach called buffer-exchange stochastic optical reconstruction microscopy (beSTORM), which introduces an additional dimension to differentiate between single molecules irrespective of their spectral properties. This method leverages the distinguishable photoblinking responses to distinct buffer conditions, offering a straightforward yet effective means of fluorophore discrimination. Through buffer exchanges, beSTORM achieves multitarget SMLM imaging with minimal crosstalk. Direct integration with expansion microscopy (ExM) demonstrates its capability to resolve up to six proteins at the molecular level within a single emission color without chromatic aberration. Overall, beSTORM presents a highly compatible imaging platform, promising significant advancements in highly multiplexed nanoscopy for exploring multiple targets in biological systems with nanoscale precision. © 2024 The Authors. Published by American Chemical Society.

关键词： Stochastic systems

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