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Grappa is a Grid portal effort designed to provide physicists convenient access to Grid tools and services. The ATLAS analysis and control framework, Athena, was used as the target application. Grappa provides basic Grid functionality such…

分布式、并行与集群计算 · 计算机科学 2008-11-26 D. Engh , S. Smallen , J. Gieraltowski , L. Fang , R. Gardner , D. Gannon , R. Bramley

Analyzing the structure of proteins is a key part of understanding their functions and thus their role in biology at the molecular level. In addition, design new proteins in a methodical way is a major engineering challenge. In this work,…

计算机视觉与模式识别 · 计算机科学 2021-06-23 Hao Huang , Boulbaba Ben Amor , Xichan Lin , Fan Zhu , Yi Fang

Despite recent advancements in deep learning methods for protein structure prediction and representation, little focus has been directed at the simultaneous inclusion and prediction of protein backbone and sidechain structure information.…

生物大分子 · 定量生物学 2020-11-17 Jonathan E. King , David Ryan Koes

A novel kernel-based support vector machine (SVM) for graph classification is proposed. The SVM feature space mapping consists of a sequence of graph convolutional layers, which generates a vector space representation for each vertex,…

机器学习 · 计算机科学 2020-08-05 Padraig Corcoran

Bayesian inference is a widely used and powerful analytical technique in fields such as astronomy and particle physics but has historically been underutilized in some other disciplines including semiconductor devices. In this work, we…

数据分析、统计与概率 · 物理学 2019-11-28 Rachel C. Kurchin , Giuseppe Romano , Tonio Buonassisi

Structure-informed protein representation learning is essential for effective protein function annotation and \textit{de novo} design. However, the presence of inherent noise in both crystal and AlphaFold-predicted structures poses…

生物大分子 · 定量生物学 2025-03-25 Zhongyue Zhang , Runze Ma , Yanjie Huang , Shuangjia Zheng

Proteins are essential to life's processes, underpinning evolution and diversity. Advances in sequencing technology have revealed millions of proteins, underscoring the need for sophisticated pre-trained protein models for biological…

生物大分子 · 定量生物学 2024-04-25 Shujian Jiao , Bingxuan Li , Lei Wang , Xiaojin Zhang , Wei Chen , Jiajie Peng , Zhongyu Wei

This paper deepens into the analysis of the protein secondary structure using Frenet frame to describe the curvature and torsion of the discrete curve formed by the protein $\alpha$-carbons. We show how a simple criterion based on the…

生物物理 · 物理学 2025-12-08 M. Prados , M. D. Hernández de la Torre , F. de Soto

Internet usage is an important requirement that supports the performance and activities on campus. To control internet usage, it is necessary to know the distribution of internet usage. By utilizing a number of machine learning algorithms…

计算机与社会 · 计算机科学 2020-08-28 Muhammad Surahman , Leon Andretti Abdillah , Ferdiansyah

Protein activity is a significant characteristic for recombinant proteins which can be used as biocatalysts. High activity of proteins reduces the cost of biocatalysts. A model that can predict protein activity from amino acid sequence is…

定量方法 · 定量生物学 2018-07-23 X. Han , X. Wang , K. Zhou

It has been well accepted that the RNA secondary structures of most functional non-coding RNAs (ncRNAs) are closely related to their functions and are conserved during evolution. Hence, prediction of conserved secondary structures from…

生物大分子 · 定量生物学 2013-07-09 Michiaki Hamada

Protein structure prediction is a challenging and unsolved problem in computer science. Proteins are the sequence of amino acids connected together by single peptide bond. The combinations of the twenty primary amino acids are the…

计算工程、金融与科学 · 计算机科学 2015-10-12 Mahmood A. Rashid , Firas Khatib , Abdul Sattar

Protein inference plays a vital role in the proteomics study. Two major approaches could be used to handle the problem of protein inference; top-down and bottom-up. This paper presents a framework for protein inference, which uses hardware…

计算工程、金融与科学 · 计算机科学 2014-03-07 S. M. Vidanagamachchi , S. D. Dewasurendra , R. G. Ragel

Support vector machine modeling is a new approach in machine learning for classification showing good performance on forecasting problems of small samples and high dimensions. Later, it promoted to Support Vector Regression (SVR) for…

机器学习 · 计算机科学 2021-03-23 Mohammadreza Ghanbari , Mahdi Goldani

Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

计算工程、金融与科学 · 计算机科学 2009-07-14 Oktie Hassanzadeh

Protein contacts contain important information for protein structure and functional study, but contact prediction from sequence information remains very challenging. Recently evolutionary coupling (EC) analysis, which predicts contacts by…

定量方法 · 定量生物学 2015-12-01 Siqi Sun , Jianzhu Ma , Sheng Wang , Jinbo Xu

With the exponential increase of the protein sequence databases over time, multiple-sequence alignment (MSA) methods, like PSI-BLAST, perform exhaustive and time-consuming database search to retrieve evolutionary information. The resulting…

定量方法 · 定量生物学 2023-08-21 Issar Arab

This essay investigates the question of how the naive Bayes classifier and the support vector machine compare in their ability to forecast the Stock Exchange of Thailand. The theory behind the SVM and the naive Bayes classifier is explored.…

机器学习 · 计算机科学 2015-12-01 Napas Udomsak

During the last decade there has been a huge interest in Grid technologies, and numerous Grid projects have been initiated with various visions of the Grid. While all these visions have the same goal of resource sharing, they differ in the…

分布式、并行与集群计算 · 计算机科学 2007-05-23 B. Hudzia , T. N. Ellahi , L. McDermott , T. Kechadi

Signaling proteins are an important topic in drug development due to the increased importance of finding fast, accurate and cheap methods to evaluate new molecular targets involved in specific diseases. The complexity of the protein…