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An Exploratory Computational Approach for Elucidating a Nonstructural Protein Interaction in Dengue Virus 2

Procedia Computer science 2024年 245卷 470-479页

作者： Alam Ahmad Hidayat Rudi Nirwantono Bens Pardamean Mathematics Department School of Computer Science Bina Nusantara University Indonesia 11480 Biotechnology Department Faculty of Engineering Bina Nusantara University Indonesia 11480 Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia 11480 Computer Science Department BINUS Graduate Program Bina Nusantara University Jakarta Indonesia 11480

As the dengue infection still impacts hundreds of millions of people globally, unprecedented efforts in dengue drug development have been more progressive in recent decades. Computational methods provide a fast, sustainable, and efficient screening of active compounds and newly created drug molecules, including those specifically targeting nonstructural proteins (NS) of dengue viruses. In this work, protein modeling for the NS proteins of DENV-2/16681 strain was performed using a template-based homology modeling for the NS3 protein and an Artificial Intelligence (AI)-based prediction via AlphaFold for the NS4B protein. Moreover, the protein-protein interaction between the two structures was predicted using the HADDOCK server, which employs information about active and passive residues of the interaction interface to guide the docking process. After the modeling and its respective refinement process, the predicted structures of NS3 and NS4B improved their steric clashing scoring from MolProbity assessment. The refined models were then docked, and the resulting docking pose was analyzed to extract the interacting residues based on the polar contacts within the interface of the two proteins. Our result presents a preliminary study to create a dataset related to in silico molecular interactions of the NS3-NS4B interaction of different DENV types. It is helpful for building a computational pipeline for elucidating protein-ligand problems in dengue drug screenings.

关键词： bioinformatics computational biology dengue protein docking structural biology

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Identify Non-mutational p53 Functional Deficiency in Human Cancers

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Genomics, Proteomics & bioinformatics 2024年第5期22卷 85-98页

作者： Qianpeng Li Yang Zhang Sicheng Luo Zhang Zhang Ann L.Oberg David E.Kozono Hua Lu Jann N.Sarkaria Lina Ma Liguo Wang National Genomics Data Center China National Center for BioinformationBeijing 100101China Beijing Institute of Genomics Chinese Academy of SciencesBeijing 100101China University of Chinese Academy of Sciences Beijing 100049China Division of Computational Biology Mayo Clinic College of Medicine and ScienceRochesterMN 55905USA Department of Radiation Oncology Dana-Farber Cancer Institute and Brigham and Women's HospitalBostonMA 02215USA Department of Biochemistry&Molecular Biology and Tulane Cancer Center Tulane University School of MedicineNew OrleansLA 70112USA Department of Radiation Oncology Mayo Clinic College of Medicine and ScienceRochesterMN 55905USA Department of Biochemistry and Molecular Biology Mayo Clinic College of Medicine and ScienceRochesterMN 55905USA Bioinformatics and Computational Biology Graduate Program University of Minnesota RochesterRochesterMN 55904USA

An accurate assessment of p53's functional statuses is critical for cancer genomic ***,there is a significant challenge in identifying tumors with non-mutational p53 inactivation which is not detectable through DNA *** undetected cases are often misclassified as p53-normal,leading to inaccurate prognosis and downstream association *** address this issue,we built the support vector machine(SVM)models to systematically reassess p53's functional statuses in TP53 wild-type(TP53^(WT))tumors from multiple The Cancer Genome Atlas(TCGA)***-validation demonstrated the good performance of the SVM models with a mean area under the receiver operating characteristic curve(AUROC)of 0.9822,precision of 0.9747,and recall of *** study revealed that a significant proportion(87%-99%)of TP53^(WT) tumors actually had compromised p53 *** analyses uncovered that these genetically intact but functionally impaired(termed as predictively reduced function of p53 or TP53^(WT)-pRF)tumors exhibited genomic and pathophysiologic features akin to TP53-mutant tumors:heightened genomic instability and elevated levels of ***,patients with TP53^(WT)-pRF tumors experienced significantly shortened overall survival or progression-free survival compared to those with predictively normal function of p53(TP53^(WT)-pN)tumors,and these patients also displayed increased sensitivity to platinum-based chemotherapy and radiation therapy.

关键词： Cancer Composite expression DNA mutation Machine learning p53 deficiency

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Web Development of Direct-to-consumer Genetics Testing 4

Web Development of Direct-to-consumer Genetics Testing

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4th International Conference on Cybernetics and Intelligent System, ICORIS 2022

作者： Azizatikarna, Kians Parung, Deby Erina Amirullah, Dian Hidayat, Alam Ahmad Cenggoro, Tjeng Wawan Budiarto, Arif Simon Pardamean, Bens Genetics Indonesia Jakarta12940 Indonesia Bina Nusantara University Bioinformatics and Data Science Research Center Jakarta11480 Indonesia Computer Science Department School of Computer Science Bina Nusantara University Jakarta11480 Indonesia Bina Nusantara University BINUS Graduate Program - Master of Computer Science Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9781665453950

As the cost of genetic testing becomes more affordable each year, direct-to-customer (DTC) genetic testing services witness rapid market growth. This has encouraged the development of an easy-to-use website application to optimize potential customers to obtain informed choice regarding the offered DTC genetic testing as well as purchasing information. We present a wireframing process as a part of the agile software development process to build a web portal prototype for an Indonesia-based genetic testing service called DNAku. The approach in building the prototype used in this case is a part of the Agile Software Development Method. In brief, the wireframing stage resulted in this work consists of three main important outcomes. The first one is the use case diagram as a blueprint of this web-based system. A site map is then proposed as an extended version of the use case diagram which visualizes the whole pages with the links. Finally, based on this site map a series of page mock-ups are designed using Hyper Text Marking Language (HTML) and Cascading Style Sheets (CSS). The result of the prototype can be used as the basis for the next development stage, which is the coding stage based on the collected feedback from users. Considering the continuous application development via the wireframing method by taking into account the cycle of feedbacks from involved parties, this approach can strengthen the infrastructure to sustain DTC genetic business model, which has a niche market in Indonesia. © 2022 IEEE.

关键词： Sales

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Kirigami: large convolutional kernels improve deep learning-based RNA secondary structure prediction

arXiv

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arXiv 2024年

作者： Harary, Marc Zhang, Chengxin Department of Data Science Dana-Farber Cancer Institute BostonMA02115 United States Department of Computational Medicine and Bioinformatics University of Michigan Ann ArborMI48109 United States

We introduce a novel fully convolutional neural network (FCN) architecture for predicting the secondary structure of ribonucleic acid (RNA) molecules. Interpreting RNA structures as weighted graphs, we employ deep learning to estimate the probability of base pairing between nucleotide residues. Unique to our model are its massive 11-pixel kernels, which we argue provide a distinct advantage for FCNs on the specialized domain of RNA secondary structures. On a widely adopted, standardized test set comprised of 1,305 molecules, the accuracy of our method exceeds that of current state-of-the-art (SOTA) secondary structure prediction software, achieving a Matthews Correlation Coefficient (MCC) over 11-40% higher than that of other leading methods on overall structures and 58-400% higher on pseudoknots specifically. © 2024, CC BY.

关键词： RNA

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Utilizing Semi-supervised Method in Predicting BRCA1 Pathogenicity Variants

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Procedia Computer science 2023年 227卷 36-45页

作者： Alam Ahmad Hidayat Joko Pebrianto Trinugroho Rudi Nirwantono Digdo Sudigyo Bens Pardamean Department of Mathematics School of Computer Science Bina Nusantara University Indonesia 11480 Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia 11480 Computer Science Department BINUS Graduate Program Bina Nusantara University Jakarta Indonesia 11480

Quantifying the effect of mutations in the BRCA1 gene is useful for understanding their clinical consequences on breast cancer. Machine learning models can be applied to predict the landscape of protein variant effects that might not be always accessible by experiments. In this work, we propose a simple semi-supervised learning method using a Gaussian mixture model to predict ∼90% of the unlabeled missense variants of the BRCA1 gene collected from the ClinVar database. High-quality embeddings are used as a feature of the protein sequences, extracted using the latest pre-trained transformer-based language protein model. A statistical test show that the protein embeddings are effective and robust for predicting pathogenicity. Further, the lower representations of the features are then fed into the semi-supervised model. The prediction performance of the model only for the labeled testing data achieves an AUC score and an accuracy of 79.27% and 71.58%, respectively. Using our defined pathogenic probability score, we find that ∼94% of variants in our unlabeled dataset are well-separated into either benign or pathogenic classes according to that scoring. Our scores obtain a moderate Spearman rank correlation with the results of established unsupervised variant effect models. Finally, our approach can potentially be developed for more accurate and biologically reliable predictions of the variant effects.

关键词： embeddings mutation effect language model protein sequence semi-supervised learning

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Identification of Meteorological Parameters Affecting Dengue Hemorrhagic Fever Incidences 4

Identification of Meteorological Parameters Affecting Dengue...

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4th International Conference on Informatics, Multimedia, Cyber and Information System, ICIMCIS 2022

作者： Asadi, Faisal Trinugroho, Joko Pebrianto Hidayat, Alam Ahmad Rahutomo, Reza Pardamean, Bens Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia School of Information Systems Bina Nusantara University Information System Department Jakarta11480 Indonesia Binus Graduate Program Master of Computer Science Bina Nusantara University Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9781665473279

Tropical disease is one of the infectious diseases that affect Indonesia. Many people die because of tropical diseases, such as dengue hemorrhagic fever (DHF), chikungunya, leprosy, lymphatic, and filariasis. The Indonesian government's lack of public policy is the main problem in treating and preventing tropical diseases. The paper aims to describe the analysis results of the incidence of DHF in Jakarta, Indonesia. The analysis used the DHF incidences data from the Jakarta Health service surveillance office representative and combined it with the meteorological parameters data. The meteorological parameters were collected from the Bureau of Meteorological Climatology and Geophysics (BMKG). The statistical analysis of this research used Pearson's correlation. The results show that the meteorological parameters affecting DHF incidences are temperature, humidity, and wind speed. © 2022 IEEE.

关键词： Correlation methods

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Federated PCA and Estimation for Spiked Covariance Matrices: Optimal Rates and Efficient Algorithm

arXiv

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arXiv 2024年

作者： Li, Jingyang Cai, T. Tony Xia, Dong Zhang, Anru R. Department of Statistics Department of Mathematics University of Michigan Ann Arbor United States Department of Statistics and Data Science University of Pennsylvania United States Department of Mathematics Hong Kong University of Science and Technology Hong Kong Department of Biostatistics & Bioinformatics Department of Computer Science Duke University United States

Federated Learning (FL) has gained significant recent attention in machine learning for its enhanced privacy and data security, making it indispensable in fields such as healthcare, finance, and personalized services. This paper investigates federated PCA and estimation for spiked covariance matrices under distributed differential privacy constraints. We establish minimax rates of convergence, with a key finding that the central server’s optimal rate is the harmonic mean of the local clients’ minimax rates. This guarantees consistent estimation at the central server as long as at least one local client provides consistent results. Notably, consistency is maintained even if some local estimators are inconsistent, provided there are enough clients. These findings highlight the robustness and scalability of FL for reliable statistical inference under privacy constraints. To establish minimax lower bounds, we derive a matrix version of van Trees’ inequality, which is of independent interest. Furthermore, we propose an efficient algorithm that preserves differential privacy while achieving near-optimal rates at the central server, up to a logarithmic factor. We address significant technical challenges in analyzing this algorithm, which involves a three-layer spectral decomposition. Numerical performance of the proposed algorithm is investigated using both simulated and real data. © 2024, CC BY.

关键词： Federated learning

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Identifying Important Usernames in 'Biofarma' Conversation using Twitter Network Analysis 7

Identifying Important Usernames in 'Biofarma' Conversation u...

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7th International Conference on Information Management and Technology, ICIMTech 2022

作者： Rahutomo, Reza Jariyah, Ainun Trinugroho, Joko Pebrianto Pardamean, Bens School of Information Systems Bina Nusantara University Information Systems Department Jakarta11480 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia BINUS Graduate Program-Master of Computer Science Bina Nusantara University Computer Science Department Jakarta11480 Indonesia

ISBN: (数字)9781665450904

ISBN: (纸本)9781665450904

This study analyzed interactions between Twitter users in conversations regarding Indonesia's state-owned vaccine manufacturer 'Biofarma' in 2021. The primary objective of this study is to identify Key Opinion Leaders (KOL) due to the need of authentic and trustworthy persona in social media. A technique called network centrality was employed in this research alongside four centrality measurements, namely degree of centrality, eigenvector centrality, betweenness centrality, and closeness centrality. Focused on using a reply network interaction dataset, the research discovered several important usernames with different roles that enlivened the conversation and have a potential for social media marketing optimization. © 2022 IEEE.

关键词： Marketing

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Comparative Analysis of CNN Models for Multiclass Detection on Colon Disease

Comparative Analysis of CNN Models for Multiclass Detection ...

引用

Information Technology and Digital Applications (ICITDA), IEEE International Conference on

作者： Jason Sebastian Sulistyawan Kuncahyo Setyo Nugroho Mahmud Isnan Bens Pardamean Computer Science Department BINUS Graduate Program - Master of Computer Science Bina Nusantara University Jakarta Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia Computer Science Department School of Computer Science Bina Nusantara University Jakarta Indonesia

ISBN: (数字)9798331510732

ISBN: (纸本)9798331510749

Gastrointestinal diseases are significant health concerns that mostly affect the digestive and biliary tracts. These can only be observed internally through endoscopy, or a modern approach named Wireless Capsule Endoscopy. Though the approach has proven to work, the process relies heavily on medical experts, which is prone to error when given a considerably large load. The use of deep learning in detecting diseases with images has been proven to work in various cases and can be implemented for gastrointestinal diseases. This study compared four deep learning models based on Convolutional Neural Network architectures consisting of the VGG16, ResNet152V2, InceptionV3, and Xception for classifying colon disease images. The experiment showed that the ResNet152V2 performed the best, compared to the other three with a testing accuracy score of 0.9837. On the other hand, the VGG16 had the lowest performance with around accuracy score of 0.89 while the Xception and InceptionV3models yielded similar accuracy scores of 0.9587 and 0.9549, respectively. The results highlight the effectiveness of ResNet152V2 in handling the complexity of colon disease detection

关键词： Hands Deep learning Accuracy Endoscopes Real-time systems Gastrointestinal tract data models Colon Medical diagnostic imaging Diseases

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A Design of Childhood Stunting Assessment Feature with Agile UX Approach 8

A Design of Childhood Stunting Assessment Feature with Agile...

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8th International HCI and UX Conference in Indonesia, CHIuXiD 2022

作者： Rahutomo, Reza Perbangsa, Anzaludin Samsinga Asadi, Faisal Nirwantono, Rudi Pardamean, Bens Bina Nusantara University School of Information Systems Information Systems Department Jakarta11480 Indonesia Bina Nusantara University Bioinformatics and Data Science Research Center Jakarta11480 Indonesia Bina Nusantara University BINUS Graduate Program-Master of Computer Science Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9781665476645

multidisciplinary collaboration between public health, system engineering, and UX is able to generate a solution in healthcare problem like stunting. The principle of Agile UX gathers requirements to generate an application design. Currently, various website and mobile applications are available to be utilized for stunting research. StuntingDB is one of many web-based applications that specialized in stunting data management. The application required several types of users to operate hierarchically. This research focused on Public Health Officers' workflow that require a solution to in the form of assessment module for stunting DBMS by using Agile UX principle. The method collaborates agile team and UX team to solve Public Health Officer's difficulty in changing stunting status at pre-saved child patient's profile. Collaboration of both agile team and UX team successfully proposed an application design that system design. © 2022 IEEE.

关键词： Websites

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