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How and where proteins interface with one another can ultimately impact the proteins' functions along with a range of other biological processes. As such, precise computational methods for protein interface prediction (PIP) come highly…

Quantitative Methods · Quantitative Biology 2021-10-08 Alex Morehead , Chen Chen , Ada Sedova , Jianlin Cheng

Proteins, by virtue of their central role in most biological processes, represent one of the key subjects of the study of molecular evolution. Inherent to the indispensability of proteins for living cells is the fact that a given protein…

Biomolecules · Quantitative Biology 2007-05-23 Eric J. Deeds , Eugene I. Shakhnovich

In this paper, we propose a novel statistic of networks, the normalized clustering coefficient, which is a modified version of the clustering coefficient that is robust to network size, network density and degree heterogeneity under…

Social and Information Networks · Computer Science 2019-08-02 Ting Li , Xianshi Yu , Bing-Yi Jing

Nowadays there is a multitude of measures designed to capture different aspects of network structure. To be able to say if the structure of certain network is expected or not, one needs a reference model (null model). One frequently used…

Other Quantitative Biology · Quantitative Biology 2007-05-23 Petter Holme , Jing Zhao

In this work we set out to find a method to classify protein structures using a Deep Learning methodology. Our Artificial Intelligence has been trained to recognize complex biomolecule structures extrapolated from the Protein Data Bank…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

Component Based Software Engineering (CBSE) has played a very important role for building larger software systems The current practices of software industry demands development of a software within time and budget which is highly…

Software Engineering · Computer Science 2014-06-18 N. Md Jubair Basha , Chandra Mohan

In this paper, we study the application of sparse principal component analysis (PCA) to clustering and feature selection problems. Sparse PCA seeks sparse factors, or linear combinations of the data variables, explaining a maximum amount of…

Artificial Intelligence · Computer Science 2008-10-08 Ronny Luss , Alexandre d'Aspremont

Assessing the importance of individual features in Machine Learning is critical to understand the model's decision-making process. While numerous methods exist, the lack of a definitive ground truth for comparison highlights the need for…

Machine Learning · Computer Science 2025-12-05 Eddie Conti , Álvaro Parafita , Axel Brando

In this paper, we introduce multiscale persistent functions for biomolecular structure characterization. The essential idea is to combine our multiscale rigidity functions with persistent homology analysis, so as to construct a series of…

Biomolecules · Quantitative Biology 2016-12-28 Kelin Xia , Zhiming Li , Lin Mu

Predicting protein properties such as solvent accessibility and secondary structure from its primary amino acid sequence is an important task in bioinformatics. Recently, a few deep learning models have surpassed the traditional window…

Machine Learning · Computer Science 2016-05-11 Zeming Lin , Jack Lanchantin , Yanjun Qi

Aberrant protein-protein interactions (PPIs) underpin a plethora of human diseases, and disruption of these harmful interactions constitute a compelling treatment avenue. Advances in computational approaches to PPI prediction have closely…

Biomolecules · Quantitative Biology 2025-07-29 François Charih , James R. Green , Kyle K. Biggar

Purpose: Health recommenders act as important decision support systems, aiding patients and medical professionals in taking actions that lead to patients' well-being. These systems extract the information which may be of particular…

Machine Learning · Computer Science 2024-07-02 Abhishek Dey , Debayan Goswami , Rahul Roy , Susmita Ghosh , Yu Shrike Zhang , Jonathan H. Chan

Understanding and extracting the patterns of microscopy images has been a major challenge in the biomedical field. Although trained scientists can locate the proteins of interest within a human cell, this procedure is not efficient and…

Computer Vision and Pattern Recognition · Computer Science 2020-06-09 Hanke Chen

Clustering of proteins is of interest in cancer cell biology. This article proposes a hierarchical Bayesian model for protein (variable) clustering hinging on correlation structure. Starting from a multivariate normal likelihood, we enforce…

Computation · Statistics 2022-02-09 Riddhi Pratim Ghosh , Arnab Kumar Maity , Mohsen Pourahmadi , Bani K. Mallick

Introduction : Mass spectrometry approaches are very attractive to detect protein panels in a sensitive and high speed way. MS can be coupled to many proteomic separation techniques. However, controlling technological variability on these…

Genomics · Quantitative Biology 2012-02-23 Pierre Grangeat , Pascal Szacherski , Laurent Gerfault , Jean-François Giovannelli

Protein function and dynamics are closely related to its sequence and structure. However prediction of protein function and dynamics from its sequence and structure is still a fundamental challenge in molecular biology. Protein…

Biomolecules · Quantitative Biology 2015-10-06 Zixuan Cang , Lin Mu , Kedi Wu , Kristopher Opron , Kelin Xia , Guo-Wei Wei

In this study, we propose a Kernel-PCA model designed to capture structure-function relationships in a protein. This model also enables ranking of reaction coordinates according to their impact on protein properties. By leveraging machine…

Computation and Language · Computer Science 2025-03-26 Parisa Mollaei , Amir Barati Farimani

It has recently been proposed that proteins embedded in lipidic bio-membranes can spontaneously self-organize into stable small clusters, or membrane nano-domains, due to the competition between short-range attractive and longer-range…

Soft Condensed Matter · Physics 2011-06-08 Nicolas Meilhac , Nicolas Destainville

The use of a finite mixture of normal distributions in model-based clustering allows to capture non-Gaussian data clusters. However, identifying the clusters from the normal components is challenging and in general either achieved by…

Methodology · Statistics 2016-06-21 Gertraud Malsiner-Walli , Sylvia Frühwirth-Schnatter , Bettina Grün

Clustering explores meaningful patterns in the non-labeled data sets. Cluster Ensemble Selection (CES) is a new approach, which can combine individual clustering results for increasing the performance of the final results. Although CES can…

Machine Learning · Computer Science 2016-04-26 Muhammad Yousefnezhad , Daoqiang Zhang
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