-
The evolutionary trajectory of a protein through sequence space is constrained by function and three-dimensional (3D) structure. Residues in spatial proximity tend to co-evolve, yet attempts to invert the evolutionary record to identify these constraints and u…
arxiv
Debora S. Marks, Lucy J. Colwell, Robert Sheridan, Thomas A. Hopf 等
2011-10-23T22:02:12Z
置信度 0.78
q-bio.BMcs.CEphysics.bio-phphysics.data-an
-
The ABCD Neurocognitive Prediction Challenge is a community driven competition asking competitors to develop algorithms to predict fluid intelligence score from T1-w MRIs. In this work, we propose a deep learning combined with gradient boosting machine framewo…
arxiv
Yeeleng S. Vang, Yingxin Cao, Xiaohui Xie
2019-10-16T22:32:13Z
置信度 0.78
cs.CVq-bio.NC
-
Protein structure prediction can be shown to be an NP-hard problem; the number of conformations grows exponentially with the number of residues. The native conformations of proteins occupy a very small subset of these, hence an exploratory, robust search algor…
arxiv
Mehul M. Khimasia, Peter V. Coveney
1997-08-11T10:33:15Z
置信度 0.78
physics.chem-ph
-
The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the protein sequence dat…
arxiv
Bozhen Hu, Jun Xia, Jiangbin Zheng, Cheng Tan 等
2022-11-30T04:58:54Z
置信度 0.78
q-bio.QMcs.AIcs.LG
-
The goal of Protein Structure Prediction (PSP) problem is to predict a protein's 3D structure (confirmation) from its amino acid sequence. The problem has been a 'holy grail' of science since the Noble prize-winning work of Anfinsen demonstrated that protein c…
arxiv
Abbi Abdel-Rehim, Oghenejokpeme Orhobor, Hang Lou, Hao Ni 等
2023-01-18T14:39:34Z
置信度 0.78
q-bio.BMcs.LG
-
This article introduces idMotif, a visual analytics framework designed to aid domain experts in the identification of motifs within protein sequences. Motifs, short sequences of amino acids, are critical for understanding the distinct functions of proteins. Id…
arxiv
Ji Hwan Park, Vikash Prasad, Sydney Newsom, Fares Najar 等
2024-02-04T06:51:03Z
置信度 0.78
q-bio.QMcs.GRcs.HCcs.LG
-
Human body consists of lot of cells, each cell consist of DeOxaRibo Nucleic Acid (DNA). Identifying the genes from the DNA sequences is a very difficult task. But identifying the coding regions is more complex task compared to the former. Identifying the prote…
arxiv
Pokkuluri Kiran Sree, Inampudi Ramesh Babu, SSSN Usha Devi N
2014-01-21T16:15:29Z
置信度 0.78
cs.CEcs.LG
-
Motivation: Protein secondary structure prediction can provide important information for protein 3D structure prediction and protein functions. Deep learning, which has been successfully applied to various research fields such as image classification and voice…
arxiv
Chao Fang, Yi Shang, Dong Xu
2017-09-12T20:59:27Z
置信度 0.78
q-bio.QMcs.CVcs.NE
-
We present a novel method that predicts transmembrane domains in proteins using solely information contained in the sequence itself. The PRED-TMR algorithm described, refines a standard hydrophobicity analysis with a detection of potential termini ('edges', st…
arxiv
Claude Pasquier, Vasilis Promponas, Giorgos Palaios, Ioannis Hamodrakas 等
2009-02-18T13:23:03Z
置信度 0.78
q-bio.QM
-
By providing new insights into the distribution of a protein's torsion angles, recent statistical models for this data have pointed the way to more efficient methods for protein structure prediction. Most current approaches have concentrated on bivariate model…
arxiv
Kristin P. Lennox, David B. Dahl, Marina Vannucci, Ryan Day 等
2010-11-09T12:43:57Z
置信度 0.78
stat.AP
-
After AlphaFold won the Nobel Prize, protein prediction with deep learning once again became a hot topic. We comprehensively explore advanced deep learning methods applied to protein structure prediction and design. It begins by examining recent innovations in…
arxiv
Yichao Zhang, Ningyuan Deng, Xinyuan Song, Ziqian Bi 等
2025-03-14T21:28:29Z
置信度 0.78
q-bio.BMcs.AIcs.LG
-
Protein secondary structure (SS) prediction is important for studying protein structure and function. When only the sequence (profile) information is used as input feature, currently the best predictors can obtain ~80% Q3 accuracy, which has not been improved …
arxiv
Sheng Wang, Jian Peng, Jianzhu Ma, Jinbo Xu
2015-12-02T01:53:57Z
置信度 0.78
q-bio.BMcs.LGq-bio.QM
-
Flexibility is an intrinsic essential feature of protein structures, directly linked to their functions. To this day, most of the prediction methods use the crystallographic data (namely B-factors) as the only indicator of protein's inner flexibility and predi…
arxiv
Tarun Narwani, Catherine Etchebest, Pierrick Craveur, Sylvain Léonard 等
2019-08-14T13:40:51Z
置信度 0.78
q-bio.QMq-bio.BM
-
Predicting protein secondary structure is a fundamental problem in protein structure prediction. Here we present a new supervised generative stochastic network (GSN) based method to predict local secondary structure with deep hierarchical representations. GSN …
arxiv
Jian Zhou, Olga G. Troyanskaya
2014-03-06T05:18:26Z
置信度 0.78
q-bio.QMcs.CEcs.LG
-
Determining the structure of a protein has been a decades-long open question. A protein's three-dimensional structure often poses nontrivial computation costs, when classical simulation algorithms are utilized. Advances in the transformer neural network archit…
arxiv
Chen Dun, Qiutai Pan, Shikai Jin, Ria Stevens 等
2023-10-05T21:10:22Z
置信度 0.78
cs.LG
-
Protein structure prediction has reached revolutionary levels of accuracy on single structures, yet distributional modeling paradigms are needed to capture the conformational ensembles and flexibility that underlie biological function. Towards this goal, we de…
arxiv
Bowen Jing, Ezra Erives, Peter Pao-Huang, Gabriele Corso 等
2023-04-05T02:46:13Z
置信度 0.78
q-bio.BMcs.LGphysics.bio-ph
-
Is protein secondary structure primarily determined by local interactions between residues closely spaced along the amino acid backbone, or by non-local tertiary interactions? To answer this question we have measured the entropy densities of primary structure …
arxiv
Gavin E. Crooks, Steven E. Brenner
2003-10-29T06:48:11Z
置信度 0.78
q-bio.BM
-
Protein Structure Prediction (PSP) is an unsolved problem in the field of computational biology. The problem of protein structure prediction is about predicting the native conformation of a protein, while its sequence of amino acids is known. Regarding process…
arxiv
Hossein Parineh, Nasser Mozayani
2022-05-11T05:17:47Z
置信度 0.78
q-bio.BMcs.AI
-
The GOR program for predicting protein secondary structure is extended to include triple correlation. A score system for a residue pair to be at certain conformation state is derived from the conditional weight matrix describing amino acid frequencies at each …
arxiv
Xin Liu, Li-mei Zhang, Wei-Mou Zheng
2002-12-18T11:07:47Z
置信度 0.78
physics.bio-phq-bio
-
Intrinsically disordered regions (IDRs) play central roles in cellular function, yet remain poorly evaluated by existing protein structure prediction benchmarks. Current evaluations largely focus on well-folded domains, overlooking three fundamental challenges…
arxiv
Xinyue Zeng, Tuo Wang, Adithya Kulkarni, Alexander Lu 等
2025-06-18T23:58:22Z
置信度 0.78
q-bio.BMcs.LG
-
Accurately predicting protein structures from amino acid sequences remains a fundamental challenge in computational biology, with profound implications for understanding biological functions and enabling structure-based drug discovery. Quantum computing approa…
arxiv
Hanna Linn, Rui-Hao Li, Alexander Holden, Abdullah Ash Saki 等
2025-09-22T18:00:07Z
置信度 0.78
quant-ph
-
This paper presents a Grid portal for protein secondary structure prediction developed by using services of Aneka, a .NET-based enterprise Grid technology. The portal is used by research scientists to discover new prediction structures in a parallel manner. An…
arxiv
Chao Jin, Jayavardhana Gubbi, Rajkumar Buyya, Marimuthu Palaniswami
2009-03-08T04:50:53Z
置信度 0.78
cs.DC
-
crossref
2010-06-11T20:15:32Z
置信度 0.70
-
crossref
2011-05-20T07:39:46Z
置信度 0.70
-
The protein-folding problem is one of the greatest remaining challenges in structural molecular biology (if not the whole of biology). How do proteins translate from their primary structure (sequence) to tertiary structure? How is the information encoded? Basi…
crossref
David T. Jones
2003-11-15T01:38:03Z
置信度 0.70
-
crossref
Jinbo Xu, Feng Jiao, Libo Yu
2007-12-08T13:23:36Z
置信度 0.70
-
crossref
Gilbert Deléage, Bernard Roux
2011-10-01T04:40:23Z
置信度 0.70
-
crossref
2011-08-24T07:02:43Z
置信度 0.70
-
Three-dimensional protein structure prediction is one of the fundamental problems of Structural Bioinformatics. The use of problem information through fragment insertion, secondary structure, and contact maps can help explore the search space better. An evolut…
europepmc
2024-09-28T17:40:17Z
置信度 0.80
-
Abstract Anyone who examines the atomic structure of even the smallest globular protein cannot but marvel at the convoluted path of the polypeptide main chain and the complex packing arrangements of main and side chain atoms. Surely then it must be a misguided…
crossref
Michael J E Sternberg
2023-11-03T20:06:06Z
置信度 0.70
-
crossref
2011-07-04T14:01:05Z
置信度 0.70
-
crossref
2011-05-31T13:34:27Z
置信度 0.70
-
We review a constrained optimization strategy known as the antlion method for the purpose of protein structure prediction. This method involves the use of neural network predictions of secondary and tertiary structure to systematically deform a protein energy …
crossref
Teresa Head-Gordon
2012-03-28T11:07:11Z
置信度 0.70
-
The native conformation of a protein is generally assumed to be the one with the lowest free energy ( 1 ). The successful prediction of protein structure depends on the surmounting of three subproblems: (1) choosing a representation of protein conformation tha…
crossref
Enoch S. Huang, Ram Samudrala, Britt H. Park
2003-11-15T01:38:03Z
置信度 0.70
-
crossref
Gerald D. Fasman
2011-10-01T04:40:23Z
置信度 0.70
-
crossref
2011-06-01T17:41:34Z
置信度 0.70
-
The seminal work of Bowie, Lüthy, and Eisenberg (Bowie et al., 1991) on “the inverse protein folding problem” laid the foundation of protein structure prediction by protein threading. By using simple measures for fitness of different amino acid types to local …
crossref
Ying Xu, Zhijie Liu, Liming Cai, Dong Xu
2010-05-01T07:58:37Z
置信度 0.70
-
crossref
2011-05-20T11:42:03Z
置信度 0.70
-
In contrast to DNA, proteins exhibit an apparently unlimited variety of structure. This is a necessary requirement of the vast array of differing functions that they perform in the maintainance of life, again, in contrast to the relatively static archival func…
crossref
William R. Taylor
2003-11-14T20:38:03Z
置信度 0.70
-
crossref
2021-01-18T20:18:22Z
置信度 0.70
-
crossref
Burkhard Rost
2010-05-28T16:47:49Z
置信度 0.70
-
crossref
Fritz Jähnig
2011-10-01T00:40:23Z
置信度 0.70
-
crossref
2011-07-04T10:25:09Z
置信度 0.70
-
crossref
2011-07-05T10:24:18Z
置信度 0.70
-
crossref
2011-06-17T13:47:52Z
置信度 0.70
-
This chapter presents experimental and computational approaches to determining protein structures, focusing on secondary and tertiary levels. It describes how researchers use X-ray crystallography, NMR spectroscopy, and cryo-electron microscopy to reveal molec…
crossref
Jamil Momand, Eliot Bush
2026-03-27T12:57:17Z
置信度 0.70
-
crossref
Fred E. Cohen, Irwin D. Kuntz
2011-10-01T04:40:23Z
置信度 0.70
-
crossref
Kozo Nagano
2011-10-01T04:40:23Z
置信度 0.70
-
Methods for protein structure prediction are flourishing and becoming widely available to both experimentalists and computational biologists. But, how good are they? What is their range of applicability and how can we know which method is better suited for the…
crossref
Anna Tramontano, Domenico Cozzetto, Alejandro Giorgetti, Domenico Raimondo
2007-12-08T18:23:36Z
置信度 0.70
-
crossref
Marco Punta, Burkhard Rost
2010-04-28T05:07:13Z
置信度 0.70
-
crossref
2012-01-20T08:14:36Z
置信度 0.70
-
This chapter presents a broad and a historical overview of the problem of protein structure prediction. Different structure prediction methods, including homology modeling, fold recognition (FR)/protein threading, ab initio/de novo approaches, and hybrid techn…
crossref
Jun-tao Guo, Kyle Ellrott, Ying Xu
2008-01-10T06:13:01Z
置信度 0.70
-
Protein-protein interactions play a central role in the formation of protein complexes and the biological pathways that orchestrate virtually all cellular processes. Reliable identification of the specific amino acid residues that form the interface of a prote…
crossref
Rafael Armando Jordan
2018-08-10T15:38:52Z
置信度 0.70
-
crossref
2022-02-28T03:45:46Z
置信度 0.70
-
This chapter contains sections titled: Introduction to Protein Structures Protein Structure Prediction Methods References
crossref
Huzefa Rangwala, George Karypis
2011-06-25T14:40:03Z
置信度 0.70
-
Abstract The prediction of protein secondary structure is a major part of the general protein folding problem and is the most general method of obtaining some structural information from any newly-determined sequence. Secondary structure prediction is useful i…
crossref
Ross D King
2023-11-03T20:06:06Z
置信度 0.70
-
crossref
2012-01-20T13:14:36Z
置信度 0.70
-
Protein structure modeling from the prediction algorithm has become a valuable tool in biology and medicine with computational advances. Accurate protein structure prediction is critical in druglike compound discovery, disease mechanism understanding, and prot…
europepmc
2025
置信度 0.80
-
crossref
Shing-Chung Ngan, Ling-Hong Hung, Tianyun Liu, Ram Samudrala
2007-12-08T18:23:36Z
置信度 0.70
-
Abstract Membrane proteins fulfil many critical cellular functions, and make up a large fraction of all proteins. In fact, it has recently been estimated that as many as 35–-40% of all yeast genes may code for integral membrane proteins (1,2). Yet, only a hand…
crossref
Gunnar Von Heijne
2023-11-03T20:06:06Z
置信度 0.70
-
Protein-protein interactions (PPIs) orchestrate virtually all cellular processes, therefore, their exhaustive exploration is essential for the comprehensive understanding of cellular networks. Significant efforts have been devoted to expand the coverage of the…
crossref
Surabhi Maheshwari
2022-06-10T17:40:01Z
置信度 0.70
-
In 1959, Anfinsen demonstrated that the primary structure (the sequence of amino acids) of a protein can uniquely determine its tertiary structure (three dimensional conformation). This implied that there must be a consistent set of rules for deriving a protei…
crossref
Scott M. Le Grand, Kenneth M. Merz
2012-03-28T11:07:11Z
置信度 0.70
-
Comparison of protein structures provide insights into the function and interactions of proteins and enhance our understanding of biomolecular mechanisms driving life and disease. Available protein structure comparison methods are based solely on the 3D geomet…
crossref
Chunyu Zhao, Ahmet Sacan
2021-07-16T02:27:47Z
置信度 0.70
-
Abstract Protein structure prediction is a long-standing unsolved problem in molecular biology that has seen renewed interest with the recent success of deep learning with AlphaFold at CASP13. While developing and evaluating protein structure prediction method…
preprints
Ronald Ayoub, Yugyung Lee
2020
置信度 0.74
-
There is a critical need for protein structure and function prediction. Accurate protein secondary structure prediction is essential for many bioinformatics applications, including protein tertiary structure prediction. We developed an algorithm (Fragment Data…
crossref
Haitao Cheng
2018-08-10T19:38:27Z
置信度 0.70
-
crossref
Christopher Bystroff, Anders Krogh
2007-12-08T18:23:36Z
置信度 0.70
-
crossref
2025-09-04T08:22:53Z
置信度 0.70
-
Genes that encode novel proteins are constantly being discovered and added to databases, but the speed with which their structures are being determined is not keeping up with this rate of discovery. Currently, homology and threading methods perform the best fo…
crossref
Maciej Kicinski
2019-04-18T13:34:00Z
置信度 0.70
-
Computational methods are rapidly gaining importance in the field of structural biology, mostly due to the explosive progress in genome sequencing projects and the large disparity between the number of sequences and the number of structures. There has been an …
crossref
Saraswathi Sundararajan
2018-08-10T15:38:27Z
置信度 0.70
-
crossref
2016-09-15T03:49:55Z
置信度 0.70
-
The number of protein sequences grows each year, yet the number of structures deposited in the Protein Data Bank remains relatively small. The importance of protein structure prediction cannot be over
crossref
David Webster
2003-11-14T20:38:03Z
置信度 0.70
-
The classification of three-dimensional (3D) structures now plays a central role in understanding the principles of protein structure, function, and evolution. Classification of new structures can provide functional details through comparison to others, which …
crossref
Robert B. Russell
2003-11-15T01:38:03Z
置信度 0.70
-
Alzheimer's disease (AD) is the most common type of dementia. It is characterized by chronic memory defects, alterations in behavior, and cognitive decline. AD is histopathologically characterized by two hallmarks: intracellular accumulation of Tau protein as …
crossref
2024-09-20T16:25:14Z
置信度 0.70
-
crossref
2021-01-18T20:18:22Z
置信度 0.70
-
crossref
M. Michael Gromiha
2011-05-21T12:09:45Z
置信度 0.70
-
crossref
Shashi Bhushan Pandit, Hongyi Zhou, Jeffrey Skolnick
2011-06-25T14:40:03Z
置信度 0.70
-
Computationally predicting the folded and functional three-dimensional structure of a protein molecule from its amino acid sequence with high degree of accuracy is critically important in structural bioinformatics and has huge implications in understanding and…
crossref
Debswapna Bhattacharya
2018-11-14T00:55:08Z
置信度 0.70
-
crossref
Ronald Ayoub, Yugyung Lee
2021-01-18T20:18:22Z
置信度 0.70
-
A protein molecule is a covalent chain of amino acid residues. Although it is topologically linear, in physiological conditions it folds into a unique (though flexible) three-dimensional structure. This structure, which has been determined by x-ray crystallogr…
crossref
J. Thomas Ngo, Joe Marks, Martin Karplus
2012-03-28T11:07:11Z
置信度 0.70
-
Reducing the computational effort and increasing the accuracy of potential energy functions is of utmost importance in modeling biological systems, for instance in protein structure prediction, docking or design. Evaluating interactions between nonbonded atoms…
crossref
Pawel Winter, Rasmus Fonseca
2015-02-02T09:54:58Z
置信度 0.70
-
crossref
Junfeng HUANG, Peng DUAN, Wenyan WU
2011-09-09T11:36:51Z
置信度 0.70
-
lnternet, preter, distribuer et vendre des theses partout dans le monde, a des fins commerciales ou autres, sur support microforme, papier, electronique et/ou autres formats.
crossref
Mariana Barssoum
2018-10-04T20:15:19Z
置信度 0.70
-
Protein structure prediction is of great importance in bioinformatics and computational biology. Over the past 30 years, many machine learning methods have been developed for this problem in homology-based and ab-initio approaches. Recently, deep learning has …
crossref
Zhaoyu Li
2023-12-20T17:39:22Z
置信度 0.70
-
A useful three-dimensional (3D) model for a protein of unknown structure (the target) can frequently be built based on one or more related proteins of known structure (the templates). This is the aim of comparative or homology protein structure modeling. The n…
crossref
Roberto Sánchez, Andrej Šali
2003-11-14T20:38:03Z
置信度 0.70
-
This project had an unusual form: it was designed to promote comparison and exchange of results within the protein structure prediction community.The main activities were centered around web sites and workshops, and the principle challenge was to involve as ma…
crossref
J. Moult
2007-04-09T22:46:56Z
置信度 0.70
-
AI breakthroughs in protein prediction include AlphaFold and ESMFold. AlphaFold combines evolutionary sequence alignment with geometric reasoning through its Evoformer module, achieving atomic-level accuracy (0.96 Å backbone precision) via equivariant attentio…
crossref
2025-10-06T23:31:09Z
置信度 0.70
-
Genetic algorithms are, like neural networks, an example par excellence of an information-processing paradigm that was originally developed and exhibited by nature and later discovered by humans, who subsequently transformed the general principle into computat…
crossref
Steffen Schulze-Kremer
2003-11-15T01:38:03Z
置信度 0.70
-
crossref
Gerald Stubbs
2011-10-01T04:40:23Z
置信度 0.70
-
The GOR method of protein secondary structure prediction is described. The original method was published by Garnier, Osguthorpe, and Robson in 1978 and was one of the first successful methods to predict protein secondary structure from amino acid sequence. The…
crossref
Maksim Kouza, Eshel Faraggi, Andrzej Kolinski, Andrzej Kloczkowski
2016-10-27T08:21:44Z
置信度 0.70
-
The entire dissertation/thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file (which also appears in the research.pdf); a non-technical general description, or public abstract, appears in the public.pdf file.
crossref
Rajkumar Bondugula
2018-11-14T00:55:08Z
置信度 0.70
-
crossref
2020-07-03T04:12:45Z
置信度 0.70
-
crossref
2025-10-01T00:06:13Z
置信度 0.70
-
crossref
Timothy Nugent, David T. Jones
2008-12-10T00:12:02Z
置信度 0.70
-
crossref
Meghrig Ohanes Terzian
2017-09-19T09:16:58Z
置信度 0.70
-
A great challenge in the proteomics and structural genomics era is to predict protein structure and function from sequence, including the identification of biological partners. The development of a procedure to construct position-specific scoring matrices for …
crossref
Gregorio Fernandez-Ballester, Luis Serrano
2006-09-06T20:00:42Z
置信度 0.70
-
Abstract Protein-protein interactions (PPIs) play an essential role in life activities. Many machine learning algorithms based on protein sequence information have been developed to predict PPIs. However, these models have difficulty dealing with various seque…
crossref
Yucong Liu, Zhenhai Li
2023-05-30T12:55:16Z
置信度 0.70
-
crossref
2017-02-01T12:28:47Z
置信度 0.70
-
crossref
Brian Pierce, Zhiping Weng
2010-05-01T07:58:37Z
置信度 0.70
-
Proteins are studied by measuring different properties, typically the chemical structure and biochemical activity. Given that these measurements are done on the same protein molecule, they must be related. Despite the fact that this relationship exists, the ma…
crossref
Marco Ambriz-Rivas, Nina Pastor, Gabriel del
2012-04-03T14:16:10Z
置信度 0.70
-
crossref
John C. Wooley, Yuzhen Ye
2007-08-24T08:51:05Z
置信度 0.70