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Proteins perform essential biological functions, and accurate classification of their sequences is critical for understanding structure-function relationships, enzyme mechanisms, and molecular interactions. This study presents a deep…

定量方法 · 定量生物学 2025-11-19 Pratik Chakraborty , Aryan Bhargava

The idea of this project is to study the protein structure and sequence relationship using the hidden markov model and artificial neural network. In this context we have assumed two hidden markov models. In first model we have taken protein…

机器学习 · 计算机科学 2012-06-18 Saurabh Sarkar , Prateek Malhotra , Virender Guman

Given native 2D contact map, protein 3D structure could be reconstructed with accuracy of 2A or better, and such reconstruction is a feasible computational approach for protein folding problem. The prediction accuracy from traditional…

生物大分子 · 定量生物学 2019-06-12 Yuhong Wang , Wei Li , Hongmao Sun , Kennie Cruz-Gutierrez

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

生物大分子 · 定量生物学 2025-01-06 Weihang Dai

Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…

生物大分子 · 定量生物学 2020-07-17 Wenhao Gao , Sai Pooja Mahajan , Jeremias Sulam , Jeffrey J. Gray

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…

定量方法 · 定量生物学 2021-10-08 Alex Morehead , Chen Chen , Ada Sedova , Jianlin Cheng

The Automated Protein Structure Analysis (APSA) method is used for the classification of supersecondary structures. Basis for the classification is the encoding of three-dimensional (3D) residue conformations into a 16-letter code (3D-1D…

定量方法 · 定量生物学 2008-11-24 Sushilee Ranganathan , Dmitry Izotov , Elfi Kraka , Dieter Cremer

Computational protein design has a wide variety of applications. Despite its remarkable success, designing a protein for a given structure and function is still a challenging task. On the other hand, the number of solved protein structures…

定量方法 · 定量生物学 2018-04-26 Jingxue Wang , Huali Cao , John Z. H. Zhang , Yifei Qi

We present analysis of a novel tool for protein secondary structure prediction using the recently-investigated Neural Machine Translation framework. The tool provides a fast and accurate folding prediction based on primary structure with…

定量方法 · 定量生物学 2021-05-11 Evan Weissburg , Ian Bulovic

The Human Genome Project has led to an exponential increase in data related to the sequence, structure, and function of biomolecules. Bioinformatics is an interdisciplinary research field that primarily uses computational methods to analyze…

生物大分子 · 定量生物学 2024-05-14 Yanlin Zhou , Tong Zhan , Yichao Wu , Bo Song , Chenxi Shi

Protein secondary structure prediction (PSSP) is essential for protein function analysis. However, for low homologous proteins, the PSSP suffers from insufficient input features. In this paper, we explicitly import external self-supervised…

定量方法 · 定量生物学 2021-08-10 Qin Wang , Jun Wei , Boyuan Wang , Zhen Li1 , Sheng Wang , Shuguang Cu

Post-translational modifications (PTMs) in proteins occur after the process of translation. PTMs account for many cellular processes such as deoxyribonucleic acid (DNA) repair, cell signaling and cell death. One of the recent PTMs is…

生物大分子 · 定量生物学 2022-01-28 Olusola Odeyomi , Gergely Zaruba

Spatially proximate amino acids in a protein tend to coevolve. A protein's three-dimensional (3D) structure hence leaves an echo of correlations in the evolutionary record. Reverse engineering 3D structures from such correlations is an open…

定量方法 · 定量生物学 2013-01-15 Magnus Ekeberg , Cecilia Lövkvist , Yueheng Lan , Martin Weigt , Erik Aurell

Protein representation learning methods have shown great potential to yield useful representation for many downstream tasks, especially on protein classification. Moreover, a few recent studies have shown great promise in addressing…

机器学习 · 计算机科学 2023-04-11 Can Chen , Jingbo Zhou , Fan Wang , Xue Liu , Dejing Dou

Accurate localization of proteins from fluorescence microscopy images is challenging due to the inter-class similarities and intra-class disparities introducing grave concerns in addressing multi-class classification problems. Conventional…

计算机视觉与模式识别 · 计算机科学 2021-10-11 Muhammad Tahir , Saeed Anwar , Ajmal Mian , Abdul Wahab Muzaffar

We present a novel dual-head deep learning architecture for protein-protein interaction modeling that enables simultaneous prediction of binding affinity ($\Delta G$) and mutation-induced affinity changes ($\Delta\Delta G$) using only…

定量方法 · 定量生物学 2025-09-30 Supantha Dey , Ratul Chowdhury

Protein representation learning plays a crucial role in understanding the structure and function of proteins, which are essential biomolecules involved in various biological processes. In recent years, deep learning has emerged as a…

生物大分子 · 定量生物学 2024-03-11 Bozhen Hu , Cheng Tan , Lirong Wu , Jiangbin Zheng , Jun Xia , Zhangyang Gao , Zicheng Liu , Fandi Wu , Guijun Zhang , Stan Z. Li

Recent computational advances in the accurate prediction of protein three-dimensional (3D) structures from amino acid sequences now present a unique opportunity to decipher the interrelationships between proteins. This task entails--but is…

生物大分子 · 定量生物学 2020-05-19 Menuka Jaiswal , Saad Saleem , Yonghyeon Kweon , Eli J Draizen , Stella Veretnik , Cameron Mura , Philip E. Bourne

Deep learning has contributed to major advances in the prediction of protein structure from sequence, a fundamental problem in structural bioinformatics. With predictions now approaching the accuracy of crystallographic resolution in some…

定量方法 · 定量生物学 2022-01-26 Mu Gao , Mark Coletti , Russell B. Davidson , Ryan Prout , Subil Abraham , Benjamin Hernandez , Ada Sedova

Machine learning and the use of neural networks has increased precipitously over the past few years primarily due to the ever-increasing accessibility to data and the growth of computation power. It has become increasingly easy to harness…

机器学习 · 计算机科学 2020-08-05 Aaron Hein , Casey Cole , Homayoun Valafar